SCHEMBL2372875

SCHEMBL2372875

NC(=O)c1cc(C2(c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NCOA1 Q15788 1/20 0.50
▸ NCOA3 Q9Y6Q9 1/20 0.50
▸ TACR3 P29371 1/20 0.42
▸ IKBKB O14920 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ PLA2G10 O15496 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ GRM2 Q14416 4/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL21848521 0.75 CYP1A2 (0.51) KDM4EPOLBRXFP1LMNASMN1; SMN2
SCHEMBL2386140 0.73 MEN1 (0.44) NCOA1NCOA3TACR3KDM4EPOLB
SCHEMBL28691005 0.72 NCOA1 (0.60) NCOA1NCOA3IKBKBKDM4EPOLB
SCHEMBL9574610 0.72 NCOA1 (0.60) NCOA1NCOA3GRM2
SCHEMBL5202032 0.72 NCOA1 (0.65) NCOA1NCOA3IKBKBKDM4EPOLB
SCHEMBL7719697 0.71 L3MBTL1 (0.63) NCOA1NCOA3KDM4EHTTSMN1; SMN2
SCHEMBL31214767 0.71 NCOA1 (0.59) NCOA1NCOA3IKBKBKDM4EPOLB
SCHEMBL6457986 0.71 KDM4E (0.65) NCOA1NCOA3KDM4EPOLBHTT
SCHEMBL30647680 0.71 NCOA1 (0.43) NCOA1NCOA3KDM4EPOLBLMNA
SCHEMBL379807 0.70 LMNA (0.76) NCOA1NCOA3TACR3KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 — — WO disclosed
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