SCHEMBL8299485

SCHEMBL8299485

Cc1cc2c(c(C(N)=O)c1)CCCC=C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NNMT P40261 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
IKBKB O14920 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPK10 P53779 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL8297257 0.71 MEN1 (0.41) KDM4ENNMTALDH1A1MEN1IKBKB
SCHEMBL15667001 0.68 UGT2B17 (0.35)
SCHEMBL29831950 0.68 UGT2B17 (0.35)
SCHEMBL7650362 0.65 PARP1 (0.44) KDM4EALDH1A1MAPTALOX15MAPK1
SCHEMBL29599524 0.65 HAAO (0.33) KDM4EALDH1A1HSD17B10TSHR
SCHEMBL1004219 0.63 KDM4E (0.50) KDM4ENNMTALDH1A1MAPT
SCHEMBL29521129 0.62 ALDH1A1 (0.42) KDM4ENNMTALDH1A1MEN1MAPT
SCHEMBL1204023 0.62 PNMT (0.42) KDM4EALDH1A1MEN1USP2TP53
SCHEMBL6027899 0.62 KDM4E (0.43) KDM4ENNMTALDH1A1MEN1MAPT
SCHEMBL23685779 0.62 KDM4E (0.50) KDM4ENNMTALDH1A1MAPTHSD17B10

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-2005000838-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed