SCHEMBL7406002

SCHEMBL7406002

O=C1c2c(c3ccccc3[nH]c2=O)C(=O)N1c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
MGLL Q99685 1/20 0.44
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PARP1 P09874 2/20 0.42
TNKS O95271 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
GPR3 P46089 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
PARP15 Q460N3 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
MAPT P10636 2/20 0.41
DAO P14920 1/20 0.41
DDO Q99489 1/20 0.41
IDE P14735 1/20 0.39

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
SCHEMBL7415108 0.82 CASP3 (0.55) MAPK14MGLLKDM4EMEN1KMT2A
SCHEMBL7407990 0.79 MAPK14 (0.53) MAPK14KDM4EMEN1KMT2AALDH1A1
SCHEMBL7415475 0.78 MAPT (0.49) MAPK14KDM4EMEN1KMT2AALDH1A1
SCHEMBL7418663 0.76 ADORA3 (0.54) MAPK14MGLLKDM4EMEN1KMT2A
SCHEMBL7416744 0.73 PARP1 (0.49) MAPK14KDM4EMEN1KMT2AALDH1A1
SCHEMBL7409290 0.73 MAPK14 (0.53) MAPK14KDM4EMEN1KMT2AALDH1A1
SCHEMBL7412697 0.73 ADORA3 (0.51) KDM4EMEN1KMT2AALDH1A1PARP1
SCHEMBL7412708 0.72 CDK5 (0.43) MAPK14KDM4EMEN1KMT2AALDH1A1
SCHEMBL15197568 0.72 MGLL (0.57) MGLLMEN1KMT2A
SCHEMBL7415495 0.71 KDM4E (0.40) MAPK14KDM4EMEN1KMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994026741-A1 CERTAIN PYRROLOQUINOLINONES; A NEW CLASS OF GABE BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-24 WO claimed
US-5243049-A Gamma-aminobutyric acid antagonist NEUROGEN CORPORATION (US) 1993-09-07 US claimed
US-5908932-A Certain pyrroloquinolinones; a new class of GABA brain receptor NEUROGEN CORPORATION (US) 1999-06-01 US disclosed
US-5604235-A DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, BENZODIAZEPINE OVERDOSE; ENHANCEMENT OF MEMORY NEUROGEN CORPORATION (US) 1997-02-18 US disclosed
WO-1994026741-A1 CERTAIN PYRROLOQUINOLINONES; A NEW CLASS OF GABE BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-24 WO disclosed
US-5243049-A Gamma-aminobutyric acid antagonist NEUROGEN CORPORATION (US) 1993-09-07 US disclosed