SCHEMBL7995288

SCHEMBL7995288

O=C(O)c1nc(-c2ccc(C(F)(F)F)cc2)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.52
MAPK12 P53778 8/20 0.52
MAPK11 Q15759 8/20 0.52
MAPK14 Q16539 8/20 0.52
ALOX5 P09917 5/20 0.52
TGFBR1 P36897 2/20 0.52
RAF1 P04049 2/20 0.49
PIN1 Q13526 2/20 0.47
NR4A2 P43354 1/20 0.47
PARP1 P09874 1/20 0.46
GCGR P47871 6/20 0.46
PRKD3 O94806 2/20 0.46
MAP4K4 O95819 2/20 0.46
FRK P42685 2/20 0.46
MAPK9 P45984 2/20 0.46
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
GSK3B P49841 2/20 0.46
PTK6 Q13882 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46

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 0.90 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6366542 0.89 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7977996 0.88 TRPV1 (0.49) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7988191 0.88 NPBWR1 (0.53) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7995390 0.88 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7992159 0.86 MAPK14 (0.68) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL7989517 0.84 MAPT (0.49) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL7989451 0.82 ALOX5 (0.58) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL6631782 0.80 PIN1 (0.67) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL14705957 0.80 ESR1 (0.47) MAPK13MAPK12MAPK11MAPK14ALOX5

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