SCHEMBL13633774

SCHEMBL13633774

CS(=O)Oc1ccc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.46
MAPT P10636 5/20 0.37
FBP1 P09467 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RECQL P46063 2/20 0.33
POLB P06746 2/20 0.33
GALR3 O60755 1/20 0.32
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9923167 0.90 P2RY12 (0.48) P2RY12MAPTFBP1AKR1C3AKR1C2
SCHEMBL13633750 0.88 P2RY12 (0.45) P2RY12MAPTFBP1AKR1C3AKR1C2
SCHEMBL9923159 0.86 P2RY12 (0.49) P2RY12MAPTFBP1MEN1KMT2A
SCHEMBL9922289 0.85 P2RY12 (0.49) P2RY12MAPTFBP1AKR1C3AKR1C2
SCHEMBL9923157 0.84 P2RY12 (0.48) P2RY12MAPTFBP1MEN1KMT2A
SCHEMBL13638506 0.84 P2RY12 (0.48) P2RY12MAPTFBP1MEN1KMT2A
SCHEMBL9923158 0.84 P2RY12 (0.52) P2RY12MAPTFBP1MEN1KMT2A
SCHEMBL9922295 0.83 P2RY12 (0.48) P2RY12MAPTFBP1AKR1C3AKR1C2
SCHEMBL9920094 0.83 P2RY12 (0.48) P2RY12MAPTFBP1MEN1KMT2A
SCHEMBL9923161 0.83 P2RY12 (0.49) P2RY12MAPTFBP1CASP3SENP8

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-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed