SCHEMBL13635100

SCHEMBL13635100

O=C(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(-n2c(=O)[nH]c3cc(NCc4ccc(F)cc4F)ccc3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.54
HTR3A P46098 3/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
RXFP1 Q9HBX9 3/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK14 Q16539 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL13635071 0.92 P2RY12 (0.55) P2RY12HTR3ATP53MAPTSMN1; SMN2
SCHEMBL13635088 0.91 P2RY12 (0.66) P2RY12HTR3ATP53MAPTSMN1; SMN2
SCHEMBL4418832 0.90 P2RY12 (0.54) P2RY12HTR3ATP53MAPTSMN1; SMN2
SCHEMBL13635176 0.89 P2RY12 (0.54) P2RY12HTR3ATP53MAPTSMN1; SMN2
SCHEMBL13635070 0.88 P2RY12 (0.52) P2RY12HTR3ATP53MAPTSMN1; SMN2
SCHEMBL4415315 0.86 P2RY12 (0.52) P2RY12TP53MAPTSMN1; SMN2LMNA
SCHEMBL13635177 0.86 P2RY12 (0.57) P2RY12HTR3ATP53MAPTSMN1; SMN2
SCHEMBL13635173 0.85 P2RY12 (0.66) P2RY12HTR3ATP53MAPTSMN1; SMN2
SCHEMBL13634873 0.84 P2RY12 (0.52) P2RY12TP53MAPTSMN1; SMN2LMNA
SCHEMBL13635102 0.84 P2RY12 (0.51) P2RY12HTR3ATP53MAPTSMN1; SMN2

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