SCHEMBL4599210

SCHEMBL4599210

O=C1C(Cc2ccncc2)c2ccccc2N1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
THPO P40225 1/20 0.48
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX5 P09917 3/20 0.42
CES2 O00748 6/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
ROCK2 O75116 1/20 0.39
HTT P42858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8805740 0.99 MAPK1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9719342 0.87 ALOX5 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9719340 0.85 GSK3B (0.51) CYP1A2CYP3A4CYP2C19LMNASMN1; SMN2
SCHEMBL8805922 0.82 LMNA (0.39) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL29158505 0.81 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL9719345 0.80 ROCK2 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9719389 0.80 LMNA (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL8806746 0.79 L3MBTL1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL17300510 0.78 EP300 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL4687956 0.78 ALOX5 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000002549-A2 COMPOSITION FOR AND METHOD OF TREATING NEUROLOGICAL DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-20 WO claimed
WO-1995027489-A1 COMPOSITION FOR TREATING NEUROLOGICAL DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-10-19 WO claimed
EP-1036175-B1 HUMAN BRAIN DERIVED KCNQ2 POTASSIUM CHANNEL ASTRAZENECA AB (SE) 2008-04-09 EP disclosed
US-20060183105-A1 Human brain-derived tissue-specific potassium channel AIYAR JAYASHREE 2006-08-17 US disclosed
US-6893858-B2 Human kcnq5 potassium channel, methods and compositions thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-17 US disclosed
US-20050064491-A1 Human KCNQ5 potassium channel, methods and compositions thereof DWORETZKY STEVEN I (US) 2005-03-24 US disclosed
CN-1179962-C Azaindolizinone derivatives and cerebral function improvers containing the same as the active ingredient ������ҩ��ҵ��ʽ���� 2004-12-15 CN disclosed
US-20040038890-A1 Human voltage-gated potassium channel subunit AIYAR JAYASHREE (US) 2004-02-26 US disclosed
EP-1290167-A1 HUMAN KCNQ5 POTASSIUM CHANNEL, METHODS AND COMPOSITIONS THEREOF Bristol-Myers Squibb Company (US) 2003-03-12 EP disclosed
CN-1377351-A Azaindolizinone derivatives and cerebral function improvers containing the same as the active ingredient ZENYAKU KOGYO KK (JP) 2002-10-30 CN disclosed
US-20020040000-A1 Human kcnq5 potassium channel, methods and compositions thereof BRISTO-MYERS SQUIBB COMPANY 2002-04-04 US disclosed
WO-1999031232-A1 HUMAN BRAIN DERIVED KCNQ2 POTASSIUM CHANNEL ASTRAZENEKA UK LIMITED (GB) 1999-06-24 WO disclosed
EP-0623127-B1 NOVEL NEUROTRANSMITTER RELEASERS USEFUL FOR COGNITION ENHANCEMENT DU PONT MERCK PHARMA (US) 1997-04-02 EP disclosed
US-5532247-A ACENAPHTHENES SUBSTITUTED IN THE 1-POSITION BY PYRIDYLMETHYL OR FLUOROPYRIDYLMETHYL; TREATING COGNITIVE OR NEUROLOGICAL DYSFUNCTION THEREWITH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US disclosed
WO-1995027489-A1 COMPOSITION FOR TREATING NEUROLOGICAL DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-10-19 WO disclosed
EP-0664810-A1 3,3-DISUBSTITUTED TRI- AND TETRACYCLIC INDOLIN-2-ONES USEFUL FOR THE TREATMENT OF COGNITIVE DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-08-02 EP disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 US disclosed
EP-0636132-A1 SUBSTITUTED NITROGEN CONTAINING SPIRO COMPOUNDS FOR USE IN TREATING COGNITIVE DEFICITS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-02-01 EP disclosed
WO-1993021185-A1 SUBSTITUTED NITROGEN CONTAINING SPIRO COMPOUNDS FOR USE IN TREATING COGNITIVE DEFICITS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-10-28 WO disclosed
WO-1992000760-A1 METHOD OF TREATING NEUROLOGICAL DYSFUNCTION USING NEUROTRANSMITTER ENHANCES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-01-23 WO disclosed