SCHEMBL6674627

SCHEMBL6674627

Oc1ccccc1-c1cc(-c2ccccc2)ncn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.60
▸ CYP1A2 P05177 4/20 0.60
▸ CYP2C9 P11712 4/20 0.60
▸ CYP2C19 P33261 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ MAPK10 P53779 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ CYP3A4 P08684 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ AGTR1 P30556 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HPGD P15428 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ BCL2L1 Q07817 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MIF P14174 1/20 0.52
▸ ASIC3 Q9UHC3 1/20 0.52

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
SCHEMBL21003370 0.82 ASIC3 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL284286 0.82 ASIC3 (0.71) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28218682 0.80 ASIC3 (0.68) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL27904874 0.80 ASIC3 (0.68) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29406194 0.80 ASIC3 (0.68) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL31121692 0.78 MIF (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL27871811 0.78 HPGD (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL1444761 0.78 MIF (0.56) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28023205 0.78 ASIC3 (0.61) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL18731738 0.78 ASIC3 (0.65) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077950-B1 NOVEL DIPHENYL-SUBSTITUTED 6-RING-HETEROCYCLES, METHODS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-09-22 — — EP disclosed
US-6235738-B1 BRAIN DISORDERS; ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-22 — — US disclosed
EP-1077950-A1 NOVEL DIPHENYL-SUBSTITUTED 6-RING-HETEROCYCLES, METHODS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-02-28 — — EP disclosed
WO-1999054311-A1 NOVEL DIPHENYL-SUBSTITUTED 6-RING-HETEROCYCLES, METHODS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 — — WO disclosed
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