SCHEMBL13638625

SCHEMBL13638625

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3I)cc(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.47
FBP1 P09467 1/20 0.37
MAPT P10636 2/20 0.36
CA12 O43570 6/20 0.36
CA9 Q16790 6/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
RECQL P46063 1/20 0.33
IDH1 O75874 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32

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
SCHEMBL12177070 0.93 P2RY12 (0.48) P2RY12FBP1MAPTCA12CA9
SCHEMBL12177269 0.92 P2RY12 (0.46) P2RY12FBP1MAPTCA12CA9
SCHEMBL14228330 0.90 P2RY12 (0.45) P2RY12FBP1MAPTCA12CA9
SCHEMBL14228336 0.90 P2RY12 (0.45) P2RY12FBP1MAPTCA12CA9
SCHEMBL12177065 0.90 P2RY12 (0.53) P2RY12FBP1MAPTCA12CA9
SCHEMBL14228335 0.90 P2RY12 (0.44) P2RY12FBP1MAPT
SCHEMBL14228471 0.89 P2RY12 (0.44) P2RY12FBP1MAPTCA12CA9
SCHEMBL13638497 0.88 P2RY12 (0.43) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL12177236 0.88 P2RY12 (0.43) P2RY12FBP1MAPTLMNAMEN1
SCHEMBL14228472 0.88 P2RY12 (0.43) P2RY12FBP1MAPTLMNAMEN1

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