SCHEMBL8488765

SCHEMBL8488765

Cn1c(-c2ccccc2C(=O)O)nc(-c2ccccc2)c1-c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.55
FABP4 P15090 2/20 0.51
FABP5 Q01469 1/20 0.51
PTGER1 P34995 1/20 0.49
CSNK1D P48730 2/20 0.45
ALOX5 P09917 1/20 0.45
DHODH Q02127 1/20 0.44
NSD3 Q9BZ95 1/20 0.44
MAPK13 O15264 2/20 0.44
GCGR P47871 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL27372589 0.88 MAPK14 (0.49) MAPK14FABP4FABP5PTGER1CSNK1D
SCHEMBL20271796 0.83 FABP4 (0.51) MAPK14FABP4FABP5PTGER1CSNK1D
SCHEMBL4426392 0.82 MAPK14 (0.52) MAPK14FABP4FABP5PTGER1CSNK1D
SCHEMBL5079652 0.81 MAPK14 (0.59) MAPK14PTGER1CSNK1DALOX5DHODH
SCHEMBL4422522 0.81 MAPK14 (0.59) MAPK14PTGER1CSNK1DALOX5DHODH
SCHEMBL7445283 0.79 MAPK14 (0.58) MAPK14FABP4FABP5PTGER1CSNK1D
SCHEMBL5488832 0.78 FABP4 (0.49) MAPK14FABP4FABP5PTGER1MAPK13
Formic Acid SCHEMBL27372078 0.77 FABP4 (0.51) MAPK14FABP4FABP5PTGER1CSNK1D
SCHEMBL17265009 0.76 FABP4 (0.53) MAPK14FABP4FABP5PTGER1KDM4E
SCHEMBL9961397 0.75 NSD3 (0.55) MAPK14PTGER1CSNK1DALOX5NSD3

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
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
US-5686455-A Imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed