SCHEMBL8985366

SCHEMBL8985366

NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.51
PTGS2 P35354 8/20 0.50
PTGS1 P23219 4/20 0.50
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
DAPK3 O43293 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
CDK1 P06493 1/20 0.49
FES P07332 1/20 0.49
ROS1 P08922 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
FER P16591 1/20 0.49
PRKACA P17612 1/20 0.49
FGFR3 P22607 1/20 0.49
CDK2 P24941 1/20 0.49
MAPK1 P28482 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL8985520 0.88 MAPK14 (0.66) MAPK14PTGS2PTGS1GCGRHSPB1
SCHEMBL8985339 0.87 MAPK14 (0.67) MAPK14PTGS2PTGS1MAPK1TSHR
SCHEMBL8985451 0.84 MAPK14 (0.50) MAPK14PTGS2PTGS1TSHRGCGR
SCHEMBL8985447 0.84 MAPK14 (0.50) MAPK14PTGS2PTGS1PLK1TSHR
SCHEMBL8985292 0.82 MAPK14 (0.57) MAPK14PTGS2PTGS1CDC7PLK4
SCHEMBL8985461 0.80 PTGS2 (0.68) MAPK14PTGS2PTGS1CHEK2CDK1
SCHEMBL8985284 0.79 PTGS2 (0.63) MAPK14PTGS2PTGS1TSHRGCGR
SCHEMBL8985420 0.76 PTGS2 (0.50) MAPK14PTGS2PTGS1TSHRGCGR
SCHEMBL8985342 0.74 MAPK14 (0.83) MAPK14PTGS2PTGS1TSHR
SCHEMBL28203797 0.74 KMT2A (0.51) MAPK14CDC7TSHRGCGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed