SCHEMBL8925263

SCHEMBL8925263

CS(=O)(=O)c1ccc(-c2[nH]nc(C#N)c2-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.51
PTGS1 P23219 4/20 0.47
ALOX15 P16050 2/20 0.44
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL8925237 0.81 PTGS2 (0.54) PTGS2PTGS1CA12CA2CA9
SCHEMBL27335524 0.76 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL8440038 0.72 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7984467 0.70 PTGS2 (0.62) PTGS2PTGS1CA12CA2CA9
SCHEMBL8654540 0.68 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL10073203 0.68 PTGS2 (0.64) PTGS2PTGS1CA12CA2CA9
SCHEMBL8094206 0.67 PTGS2 (0.51) PTGS2PTGS1ADORA2AADORA1KDM4E
SCHEMBL7466367 0.67 PTGS2 (0.55) PTGS2PTGS1CA12CA2CA9
SCHEMBL6725632 0.66 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6101739 0.66 PTGS2 (0.59) PTGS2PTGS1CA12CA2CA9

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-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed