SCHEMBL8524487

SCHEMBL8524487

CS(=O)(=O)Nc1ccccc1Oc1ccc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.59
CCR2 P41597 1/20 0.48
BRD4 O60885 8/20 0.47
PTGS1 P23219 1/20 0.45
NR3C1 P04150 4/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
MAPK8 P45983 1/20 0.43
EP300 Q09472 1/20 0.43
EPAS1 Q99814 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL10416533 0.85 PTGS2 (0.59) PTGS2CCR2BRD4PTGS1MAPK8
SCHEMBL6378390 0.84 PTGS1 (0.56) PTGS2CCR2PTGS1NR3C1PGR
SCHEMBL9656894 0.83 PTGS2 (0.58) PTGS2BRD4PTGS1EPAS1
SCHEMBL9658618 0.83 PTGS2 (0.58) PTGS2BRD4PTGS1MAPK8EP300
SCHEMBL9657018 0.83 PTGS2 (0.58) PTGS2BRD4EP300EPAS1MAPK14
SCHEMBL16047515 0.82 PTGS2 (0.62) PTGS2CCR2BRD4PTGS1MAPK8
SCHEMBL8107798 0.81 PTGS2 (0.56) PTGS2BRD4PTGS1EPAS1
SCHEMBL9656909 0.81 PTGS2 (0.56) PTGS2BRD4EP300EPAS1
SCHEMBL9656995 0.81 PTGS2 (0.56) PTGS2CCR2BRD4EP300MAPT
SCHEMBL9655254 0.81 PTGS2 (0.58) PTGS2BRD4EP300

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-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed