SCHEMBL7464649

SCHEMBL7464649

COc1ccc(-n2nc(C(F)F)cc2-c2ccccc2SC)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.53
PTGS1 P23219 10/20 0.53
RPA1 P27694 1/20 0.40
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 2/20 0.39
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL8068429 0.84 PTGS2 (0.52) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7460386 0.81 PTGS2 (0.64) PTGS2PTGS1HIF1ACYP1A2CYP3A4
SCHEMBL8989537 0.81 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7462538 0.80 PTGS2 (0.59) PTGS2PTGS1RPA1ABCB11ALDH1A1
SCHEMBL8690962 0.79 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8925551 0.79 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1HIF1A
SCHEMBL7463985 0.79 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1HIF1A
SCHEMBL14504331 0.73 PTGS2 (0.69) PTGS2PTGS1RPA1ABCB11ALDH1A1
SCHEMBL8290876 0.73 PTGS2 (0.73) PTGS2PTGS1ABCB11ALDH1A1HIF1A
SCHEMBL6209346 0.72 PTGS2 (0.58) PTGS2PTGS1RPA1ABCB11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554829-B1 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 EP disclosed
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed