SCHEMBL13634804

SCHEMBL13634804

COc1cccc(CNc2ccc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4)c(=O)[nH]c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.59
RECQL P46063 2/20 0.49
HIF1A Q16665 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 1/20 0.38
MAPT P10636 5/20 0.38
TP53 P04637 3/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
GALR3 O60755 1/20 0.37
CCR4 P51679 1/20 0.37
NAMPT P43490 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FBP1 P09467 1/20 0.36

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
SCHEMBL13635174 0.92 P2RY12 (0.49) P2RY12RECQLMEN1KMT2AGAA
SCHEMBL13635117 0.91 P2RY12 (0.62) P2RY12RECQLMEN1KMT2AGAA
SCHEMBL13635059 0.91 P2RY12 (0.61) P2RY12RECQLHIF1AMEN1KMT2A
SCHEMBL13635261 0.90 P2RY12 (0.64) P2RY12RECQLMEN1KMT2AGAA
SCHEMBL9922447 0.90 P2RY12 (0.69) P2RY12RECQLMEN1KMT2AGAA
SCHEMBL13635077 0.89 P2RY12 (0.64) P2RY12RECQLGAAMAPTTP53
SCHEMBL13634795 0.88 P2RY12 (0.58) P2RY12RECQLMEN1KMT2AGAA
SCHEMBL13635055 0.87 P2RY12 (0.61) P2RY12RECQLMEN1KMT2AGAA
SCHEMBL13634834 0.87 P2RY12 (0.62) P2RY12RECQLMEN1KMT2AMAPT
SCHEMBL13635262 0.87 P2RY12 (0.64) P2RY12RECQLMEN1KMT2AGAA

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