SCHEMBL13638620

SCHEMBL13638620

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cc(C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.54
MAPT P10636 5/20 0.41
FBP1 P09467 1/20 0.40
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 4/20 0.38
RECQL P46063 1/20 0.38
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
ALDH1A1 P00352 4/20 0.36
SCN2B O60939 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
AKR1C3 P42330 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
SCHEMBL12160810 0.91 P2RY12 (0.53) P2RY12MAPTFBP1LMNASMN1; SMN2
SCHEMBL9922465 0.91 P2RY12 (0.53) P2RY12MAPTFBP1LMNASMN1; SMN2
SCHEMBL9922468 0.90 P2RY12 (0.51) P2RY12MAPTFBP1LMNASMN1; SMN2
SCHEMBL12160800 0.90 P2RY12 (0.51) P2RY12MAPTFBP1LMNASMN1; SMN2
SCHEMBL12177239 0.90 P2RY12 (0.51) P2RY12MAPTFBP1LMNASMN1; SMN2
SCHEMBL9922470 0.89 P2RY12 (0.51) P2RY12MAPTFBP1LMNASMN1; SMN2
SCHEMBL12160803 0.89 P2RY12 (0.53) P2RY12MAPTFBP1LMNASMN1; SMN2
SCHEMBL12177070 0.89 P2RY12 (0.48) P2RY12MAPTFBP1LMNASMN1; SMN2
SCHEMBL9922787 0.88 P2RY12 (0.50) P2RY12MAPTFBP1LMNASMN1; SMN2
SCHEMBL9922471 0.88 P2RY12 (0.50) P2RY12MAPTFBP1LMNASMN1; 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
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed