SCHEMBL7742104

SCHEMBL7742104

Cc1c(NN2C=NCC2)cc(F)c2cccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.37
L3MBTL1 Q9Y468 8/20 0.37
MPI P34949 1/20 0.37
NPC1 O15118 2/20 0.36
HSP90AA1 P07900 1/20 0.36
GRM4 Q14833 3/20 0.35
SLC40A1 Q9NP59 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MITF O75030 1/20 0.33
USP2 O75604 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33

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 SCHEMBL27402631 0.99 KDM4E (0.36) KDM4EL3MBTL1MPINPC1HSP90AA1
Hydrochloric Acid SCHEMBL8690527 0.99 KDM4E (0.36) KDM4EL3MBTL1MPINPC1HSP90AA1
Hydrochloric Acid SCHEMBL27539659 0.84 KDM4E (0.34) KDM4EL3MBTL1NPC1HSP90AA1ALDH1A1
SCHEMBL8117248 0.83 L3MBTL1 (0.41) KDM4EL3MBTL1MPINPC1HSP90AA1
SCHEMBL7743450 0.83 LRRK2 (0.36) L3MBTL1NPC1HSP90AA1GRM4SLC40A1
Hydrochloric Acid SCHEMBL8111472 0.82 L3MBTL1 (0.40) KDM4EL3MBTL1MPINPC1HSP90AA1
SCHEMBL7742102 0.78 MAPT (0.39) KDM4EL3MBTL1HSP90AA1SLC40A1ALDH1A1
Hydrochloric Acid SCHEMBL8690223 0.77 MAPT (0.38) KDM4EL3MBTL1HSP90AA1SLC40A1ALDH1A1
Hydrochloric Acid SCHEMBL27429683 0.77 MAPT (0.38) KDM4EL3MBTL1HSP90AA1SLC40A1ALDH1A1
SCHEMBL6950543 0.74 IP6K1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423724-B1 PREVENTION, THERAPY DISEASE THE PROCTER & GAMBLE COMPANY 2002-07-23 US disclosed
CN-1085945-C 7-(2-imidazolinylamino) quinoline compounds as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2002-06-05 CN disclosed
US-5916900-A TREATMENT OF NASAL CONGESTION, ASTHMA, COUGH, CARDIOVASCULAR DISORDERS, OCULAR DISORDERS, GASTROINTESTINAL DISORDERS, MIGRAINES, SUSBSTANCE ABUSE THE PROCTER & GAMBLE COMPANY (US) 1999-06-29 US disclosed
US-5716966-A RESPIRATORY SYSTEM DISORDERS; VISION DEFECTS; GASTROINTESTINAL DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-10 US disclosed
CN-1137754-A 7-(2-imidazolinylamino) quinoline compounds as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1996-12-11 CN disclosed
US-5576437-A 7-(2-imidazolnylamino) quinoline compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1996-11-19 US disclosed
EP-0734261-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-02 EP disclosed
WO-1995020386-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-08-03 WO disclosed