SCHEMBL8038524

SCHEMBL8038524

COCc1nc(-c2ccc(Cl)cc2)nc(C(C)C)c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.43
CNR1 P21554 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 4/20 0.38
PKM P14618 2/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
ADORA3 P0DMS8 2/20 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
SCHEMBL8024870 0.89 GCGR (0.44) GCGRNPSR1HPGDTSHRSMN1; SMN2
SCHEMBL8032359 0.89 FABP3 (0.43) GCGRCNR1NPSR1HPGDTSHR
SCHEMBL4010063 0.82 CNR1 (0.41) CNR1NPSR1HPGDTSHRSMN1; SMN2
SCHEMBL8031430 0.79 CNR2 (0.41) CNR1NPSR1HPGDTSHRSMN1; SMN2
SCHEMBL8027046 0.78 ADORA3 (0.41) CNR1NPSR1HPGDTSHRSMN1; SMN2
SCHEMBL8038540 0.78 GCGR (0.45) GCGRHPGDTSHRSMN1; SMN2NPC1
SCHEMBL8038367 0.76 SMN1; SMN2 (0.40) NPSR1HPGDTSHRSMN1; SMN2NPC1
SCHEMBL4011470 0.75 FABP3 (0.45) GCGRNPSR1HPGDTSHRSMN1; SMN2
SCHEMBL8032664 0.75 CNR2 (0.42) NPSR1HPGDTSHRSMN1; SMN2NPC1
SCHEMBL4007725 0.74 ADORA3 (0.39) GCGRNPSR1HPGDTSHRSMN1; SMN2

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-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed