SCHEMBL3820208

SCHEMBL3820208

COc1cccc(N(C#N)C(=O)c2ccccc2C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.48
▸ TP53 P04637 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ HSD17B2 P37059 3/20 0.41
▸ HSD17B1 P14061 2/20 0.41
▸ MTNR1A P48039 5/20 0.40
▸ MTNR1B P49286 5/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ PLA2G10 O15496 1/20 0.39
▸ PRSS1 P07477 1/20 0.38

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
SCHEMBL3854862 0.75 HTT (0.40) PARP1SMN1; SMN2HTTCDC7
SCHEMBL1622376 0.72 RAB9A (0.56) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL23864607 0.69 HPGD (0.49) NPC1RAB9AKDM4EHSD17B2HSD17B1
SCHEMBL3215959 0.69 HSD17B2 (0.60) HSD17B2HSD17B1MTNR1AMTNR1BHTR1A
SCHEMBL28382188 0.69 PARP1 (0.56) PARP1TP53HSD17B2HSD17B1MTNR1A
SCHEMBL3227796 0.69 HSD17B2 (0.58) HSD17B2HSD17B1MTNR1AMTNR1BHTR1A
SCHEMBL3219074 0.69 HSD17B2 (0.58) HSD17B2HSD17B1MTNR1AMTNR1BHTR1A
SCHEMBL7614229 0.68 MTNR1A (0.48) PARP1RAB9AKDM4EHSD17B2HSD17B1
SCHEMBL28658410 0.68 RAB9A (0.53) PARP1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28164220 0.68 POLB (0.49) TP53MAPTHSD17B2HSD17B1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 — — EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 — — WO disclosed
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