SCHEMBL20308868

SCHEMBL20308868

CN(C)CCSc1cc(Nc2cccc(SCCO)c2)c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 3/20 0.43
▸ GNB1 P62873 3/20 0.43
▸ P2RY4 P51582 13/20 0.42
▸ P2RY12 Q9H244 7/20 0.41
▸ P2RY2 P41231 6/20 0.41
▸ P2RY6 Q15077 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PRKCA P17252 1/20 0.40
▸ CDK2 P24941 2/20 0.39
▸ P2RY1 P47900 2/20 0.39

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
SCHEMBL10017873 0.85 GNG2 (0.48) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL582631 0.77 MEN1 (0.57) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10017874 0.75 GNG2 (0.48) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL14011380 0.72 MEN1 (0.54) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10017875 0.71 GNG2 (0.48) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL8092232 0.70 ADORA2A (0.68) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL31718809 0.70 MEN1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL9620077 0.70 MEN1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL16784726 0.69 GNG2 (0.67) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL16473103 0.69 P2RY12 (0.61) GNG2GNB1P2RY4P2RY12P2RY2

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
EP-2238205-B1 BLUE POLYMERIC HAIR DYES BASF SE (DE) 2018-06-27 — — EP disclosed
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