SCHEMBL7992002

SCHEMBL7992002

O=C(O)c1nc(-c2ccc(C(F)(F)F)cc2)[nH]c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.60
RAF1 P04049 2/20 0.60
MAPK12 P53778 2/20 0.60
MAPK11 Q15759 2/20 0.60
MAPK14 Q16539 2/20 0.60
PIN1 Q13526 3/20 0.54
CYP1A2 P05177 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
CYP2C19 P33261 1/20 0.54
TNKS O95271 1/20 0.52
WNT3A P56704 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
DGAT1 O75907 1/20 0.52
KCNH2 Q12809 1/20 0.52
NPBWR1 P48145 1/20 0.51
MAPK9 P45984 1/20 0.50
RNASEH1 O60930 1/20 0.50
ERCC1 P07992 1/20 0.50
FEN1 P39748 1/20 0.50

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
SCHEMBL6366542 0.99 MAPK13 (0.59) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL7995288 0.90 MAPK13 (0.52) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL7977996 0.89 TRPV1 (0.49) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL7988191 0.89 NPBWR1 (0.53) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL7995390 0.89 MAPK14 (0.48) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL29093221 0.87 PIN1 (0.69) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL28576642 0.86 ERCC1 (0.55) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL6367621 0.85 ERCC1 (0.54) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL7989517 0.85 MAPT (0.49) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL7977712 0.84 MAPK14 (0.48) MAPK13RAF1MAPK12MAPK11MAPK14

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