SCHEMBL7142638

SCHEMBL7142638

CS(=O)(=O)c1ccc([CH]Cc2ccc(N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ AKR1C3 P42330 2/20 0.40
▸ CA1 P00915 4/20 0.40
▸ CA2 P00918 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CA12 O43570 3/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MPO P05164 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ CA7 P43166 3/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA6 P23280 2/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA5B Q9Y2D0 2/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL8605268 0.83 PTGS2 (0.51) AKR1C3PTGS2
SCHEMBL8667916 0.82 ALDH1A1 (0.48) TSHRCYP3A4TDP1ALDH1A1
SCHEMBL7142643 0.78 GFER (0.58) GAACA1CA2CA9CA12
SCHEMBL55092 0.78 TSHR (0.62) GAACA1CA2CA9CA12
Hydrochloric Acid SCHEMBL560710 0.75 GAA (0.60) GAACA1CA2CA9CA12
SCHEMBL27730326 0.74 ENPP2 (0.45) AKR1C3CA2CYP3A4CYP2C9PTGS2
SCHEMBL1428902 0.74 ENPP2 (0.48) AKR1C3PTGS2ENPP2
SCHEMBL7524100 0.74 ENPP2 (0.48) AKR1C3PTGS2ALDH1A1CYP1A2ENPP2
SCHEMBL5852576 0.72 MAOB (0.52) GAATSHRCYP3A4CYP2C9TDP1
SCHEMBL8366101 0.72 MAOB (0.52) GAATSHRCYP3A4CYP2C9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189929-B1 FACTOR VIIA INHIBITORS AVENTIS PHARMA GMBH (DE) 2003-08-06 — — EP disclosed
EP-1059302-A1 Factor VIIa inhibitors Aventis Pharma Deutschland GmbH (DE) 2000-12-13 — — EP disclosed
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