SCHEMBL13635172

SCHEMBL13635172

O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCc4cccnc4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.59
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 3/20 0.40
NAMPT P43490 13/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL13635050 0.91 P2RY12 (0.48) P2RY12CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13635261 0.91 P2RY12 (0.64) P2RY12KMT2AMEN1GAA
SCHEMBL13635282 0.89 P2RY12 (0.60) P2RY12CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13635059 0.89 P2RY12 (0.61) P2RY12CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13635072 0.88 P2RY12 (0.64) P2RY12CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13635048 0.88 P2RY12 (0.64) P2RY12CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13635117 0.88 P2RY12 (0.62) P2RY12KMT2APOLBTHRBMEN1
SCHEMBL13635077 0.88 P2RY12 (0.64) P2RY12POLBNAMPTALDH1A1GAA
SCHEMBL13635110 0.87 P2RY12 (0.66) P2RY12KMT2AMEN1GAA
SCHEMBL13635168 0.87 P2RY12 (0.61) P2RY12KMT2AMEN1NAMPTGAA

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-1668002-B1 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2009-11-11 EP disclosed