SCHEMBL11675119

SCHEMBL11675119

Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2cc(C(=O)O)ccc2C3=O)c(S(=O)(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.58
▸ GNB1 P62873 5/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ P2RY12 Q9H244 3/20 0.54
▸ P2RY4 P51582 4/20 0.51
▸ PHLPP2 Q6ZVD8 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ APEX1 P27695 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL8643316 0.86 GNG2 (0.61) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL1592210 0.85 GNG2 (0.76) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL11425002 0.81 GNG2 (0.68) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13214019 0.78 P2RY4 (0.80) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8951855 0.77 FTO (0.53) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8951811 0.77 FTO (0.53) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL31393493 0.77 FTO (0.53) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL3016037 0.77 P2RY4 (0.78) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13214014 0.76 GNG2 (0.76) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL18867033 0.76 P2RY12 (0.61) GNG2GNB1CYP1A2CYP2C9ALOX15

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-4007164-A FIBER-REACTIVE, CELLULOSE, WOOL BAYER AKTIENGESELLSCHAFT (DT) 1977-02-08 — — US disclosed
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