SCHEMBL20738852

SCHEMBL20738852

C=CS(=O)(=O)c1cccc(Nc2cc(S(=O)(=O)OOC)c(N)c3c2C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 2/20 0.59
▸ GNB1 P62873 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ PHLPP2 Q6ZVD8 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ P2RY4 P51582 12/20 0.55
▸ P2RY2 P41231 8/20 0.55
▸ P2RY12 Q9H244 5/20 0.55
▸ P2RY6 Q15077 3/20 0.52
▸ CHAT P28329 2/20 0.51
▸ ENPP3 O14638 1/20 0.51
▸ ENPP1 P22413 1/20 0.51

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
SCHEMBL625105 0.86 GNG2 (0.78) GNG2GNB1ALDH1A1CYP1A2CYP3A4
Uniblue A SCHEMBL29533348 0.84 P2RY4 (0.71) P2RY4P2RY2P2RY12P2RY6CDK2
Uniblue A SCHEMBL19921895 0.84 P2RY4 (0.71) P2RY4P2RY2P2RY12P2RY6CDK2
SCHEMBL23138171 0.78 GNG2 (0.51) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL19708506 0.77 GNG2 (0.49) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL13214229 0.76 GNG2 (0.87) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL16656454 0.76 P2RY4 (0.71) GNG2GNB1P2RY4P2RY2P2RY12
SCHEMBL8656578 0.76 GNG2 (0.75) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL791497 0.75 GNG2 (0.85) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL2781947 0.74 GNG2 (1.00) GNG2GNB1ALDH1A1CYP1A2CYP3A4

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-20190048203-A1 Crosslinkable Composition And Method For Producing A Coated Article GSCHNALLER, JOCHEN ALFRED (FR) 2019-02-14 — — US disclosed
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