SCHEMBL7988191

SCHEMBL7988191

Cc1ccc(-c2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.53
PIN1 Q13526 4/20 0.52
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK14 Q16539 3/20 0.48
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
RAF1 P04049 1/20 0.48
PARP1 P09874 1/20 0.45
TNKS O95271 2/20 0.44
TNKS2 Q9H2K2 2/20 0.44
WNT3A P56704 1/20 0.44
PARP2 Q9UGN5 1/20 0.43
GCGR P47871 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
SCHEMBL7992002 0.89 MAPK13 (0.60) NPBWR1PIN1KDM4EMEN1ALDH1A1
SCHEMBL6366542 0.88 MAPK13 (0.59) NPBWR1PIN1KDM4EALDH1A1GLA
SCHEMBL7995288 0.88 MAPK13 (0.52) PIN1KDM4EALDH1A1HPGDMAPK14
SCHEMBL7977996 0.87 TRPV1 (0.49) PIN1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7995390 0.87 MAPK14 (0.48) PIN1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7977738 0.85 MAPK14 (0.56) PIN1KDM4EMEN1ALDH1A1GLA
SCHEMBL7992039 0.85 MAPK14 (0.56) PIN1KDM4EMEN1ALDH1A1GLA
SCHEMBL7978027 0.85 KDM4E (0.67) PIN1KDM4EMEN1ALDH1A1GLA
SCHEMBL7988569 0.84 ALOX5 (0.48) NPBWR1KDM4EMEN1KMT2APARP1
SCHEMBL28158003 0.83 PIN1 (0.71) NPBWR1PIN1KDM4EALDH1A1HPGD

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed