SCHEMBL7477385

SCHEMBL7477385

COC(=O)c1cccc2c1nc(C)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
MAPT P10636 5/20 0.46
LCK P06239 1/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR4A2 P43354 2/20 0.44
PIK3CB P42338 1/20 0.44
LMNA P02545 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42

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
SCHEMBL7477457 0.85 TSHR (0.51) PARP1MAPTKDM4EGAAATM
SCHEMBL31498298 0.84 MAPT (0.45) PARP1MAPTLCKKMT2AKDM4E
SCHEMBL11947882 0.84 PARP1 (0.48) PARP1MAPTLCKKMT2AKDM4E
SCHEMBL6922941 0.83 PARP1 (0.46) PARP1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7485320 0.82 NPSR1 (0.44) PARP1MAPTLCKKMT2AKDM4E
SCHEMBL10149692 0.81 PARP1 (0.61) PARP1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5901235 0.81 MAPT (0.44) MAPTKDM4ENR4A2LMNANPC1
SCHEMBL8953726 0.81 NPC1 (0.44) MAPTKMT2AKDM4ENR4A2LMNA
SCHEMBL29784480 0.80 PARP1 (0.45) PARP1MAPTLCKKMT2AKDM4E
SCHEMBL27185423 0.80 PARP1 (0.45) PARP1MAPTLCKKMT2AKDM4E

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed