SCHEMBL1129154

SCHEMBL1129154

Brc1ccc(-c2n[nH]cc2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
MAPK13 O15264 3/20 0.47
GCGR P47871 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
MAPK14 Q16539 3/20 0.47
CDK2 P24941 4/20 0.45
MARK3 P27448 3/20 0.45
CSNK2A1 P68400 3/20 0.45
MARK2 Q7KZI7 3/20 0.45
AURKB Q96GD4 3/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
CSF1R P07333 2/20 0.45
FER P16591 2/20 0.45
FLT4 P35916 2/20 0.45
FLT3 P36888 2/20 0.45
CLK2 P49760 2/20 0.45
MAP4K2 Q12851 2/20 0.45

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
SCHEMBL1128951 1.00 ALDH1A1 (0.50) ALDH1A1MAPK1MAPK13GCGRMAPK12
SCHEMBL11719560 0.89 ALDH1A1 (0.42) ALDH1A1MAPK1MAPK13GCGRMAPK12
SCHEMBL218119 0.88 ALOX15 (0.52) ALDH1A1MAPTALOX15NPC1RAB9A
SCHEMBL15022262 0.86 MAPK14 (0.47) MAPK1MAPK13GCGRMAPK12MAPK11
SCHEMBL5443428 0.86 MAPK14 (0.47) MAPK1MAPK13GCGRMAPK12MAPK11
SCHEMBL3108967 0.81 TDP1 (0.52) ALDH1A1MAPK1CDK2NR1H2NR1H3
SCHEMBL28329372 0.81 ADORA1 (0.49) ALDH1A1MAPK13GCGRMAPK12MAPK11
SCHEMBL28197453 0.80 ALOX15 (0.43) ALDH1A1AURKBMAP4K4CSF1RCLK4
SCHEMBL5256518 0.79 NOTUM (0.52) MAPK1MAPK13MAPK12MAPK11MAPK14
Pyridine SCHEMBL27988808 0.79 ALOX15 (0.43) ALDH1A1MAPK1MAPK13MAPK12MAPK11

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-2282742-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 WO disclosed