SCHEMBL7017479

SCHEMBL7017479

COCc1nc2[c]cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.39
RAB9A P51151 9/20 0.39
SMN1; SMN2 Q16637 8/20 0.39
CACNA1H O95180 1/20 0.38
TP53 P04637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.36
DDAH1 O94760 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7021216 0.81 DDAH1 (0.53) SMN1; SMN2TP53ALDH1A1TSHRDDAH1
SCHEMBL7470600 0.80 NPC1 (0.32) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL7024978 0.79 DDAH1 (0.39) NPC1RAB9ASMN1; SMN2DDAH1KMT2A
SCHEMBL7017120 0.78 CACNA1H (0.36) NPC1RAB9ACACNA1HDDAH1GAA
SCHEMBL7019566 0.78 TDP1 (0.40) NPC1RAB9ADDAH1KMT2AMEN1
SCHEMBL908058 0.78 DDAH1 (0.33) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL7019229 0.77 BCHE (0.38) ALDH1A1TSHRDDAH1KMT2AMEN1
SCHEMBL7017594 0.75 KDM4E (0.32) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL698519 0.74 GAA (0.58) NPC1RAB9ATSHRKMT2AGAA
SCHEMBL9598374 0.74 MEN1 (0.33) TP53ALDH1A1DDAH1KMT2AMEN1

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-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed