SCHEMBL9119302

SCHEMBL9119302

Cc1cc(C2=CC3(C=C2c2ccc(S(=O)(=O)CF)cc2)CC3)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.50
PTGS1 P23219 10/20 0.50
PKM P14618 1/20 0.33
EPAS1 Q99814 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL9118706 0.89 PTGS2 (0.48) PTGS2PTGS1EPAS1
SCHEMBL9118021 0.89 PTGS2 (0.50) PTGS2PTGS1PKMALDH1A1
SCHEMBL9118018 0.89 PTGS2 (0.53) PTGS2PTGS1EPAS1
SCHEMBL9118436 0.86 PTGS2 (0.48) PTGS2PTGS1EPAS1
SCHEMBL9119913 0.86 PTGS2 (0.51) PTGS2PTGS1EPAS1ALDH1A1MEN1
SCHEMBL9118660 0.86 PTGS1 (0.48) PTGS2PTGS1EPAS1ALDH1A1MEN1
SCHEMBL9117782 0.85 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL9118100 0.84 PTGS2 (0.51) PTGS2PTGS1EPAS1ALDH1A1MEN1
SCHEMBL9118736 0.84 PTGS2 (0.51) PTGS2PTGS1EPAS1
SCHEMBL9119247 0.84 PTGS2 (0.51) PTGS2PTGS1EPAS1SMN1; SMN2

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
WO-1995030652-A1 SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed