SCHEMBL7977996

SCHEMBL7977996

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
MAPK13 O15264 5/20 0.48
MAPK12 P53778 5/20 0.48
MAPK11 Q15759 5/20 0.48
MAPK14 Q16539 5/20 0.48
RAF1 P04049 1/20 0.48
PIN1 Q13526 3/20 0.46
GCGR P47871 4/20 0.46
PARP1 P09874 2/20 0.45
TNKS O95271 2/20 0.44
TNKS2 Q9H2K2 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
WNT3A P56704 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
GPR35 Q9HC97 1/20 0.41
CYP1A2 P05177 1/20 0.41

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) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7995288 0.88 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6366542 0.88 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7988191 0.87 NPBWR1 (0.53) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7995390 0.87 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7989517 0.83 MAPT (0.49) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7990062 0.82 SIRT2 (0.53) TRPV1TP53MAPT
SCHEMBL6631782 0.79 PIN1 (0.67) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469444 0.79 MAPK13 (0.68) TRPV1MAPK13MAPK12MAPK11MAPK14
SCHEMBL28158003 0.78 PIN1 (0.71) PIN1PARP1TNKSTNKS2WNT3A

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