SCHEMBL13638497

SCHEMBL13638497

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.43
FBP1 P09467 2/20 0.34
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
PTGER1 P34995 3/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
PTGER3 P43115 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 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
SCHEMBL13633760 0.94 P2RY12 (0.44) P2RY12FBP1MAPTAKR1C3AKR1C2
SCHEMBL12177236 0.90 P2RY12 (0.43) P2RY12FBP1MAPTAKR1C3AKR1C2
SCHEMBL13638625 0.88 P2RY12 (0.47) P2RY12FBP1MAPTPSEN1PSEN2
SCHEMBL12177269 0.87 P2RY12 (0.46) P2RY12FBP1MAPTAKR1C3AKR1C2
SCHEMBL14228330 0.85 P2RY12 (0.45) P2RY12FBP1MAPTPSEN1PSEN2
SCHEMBL14228336 0.85 P2RY12 (0.45) P2RY12FBP1MAPTPSEN1PSEN2
SCHEMBL14228335 0.85 P2RY12 (0.44) P2RY12FBP1MAPT
SCHEMBL14228471 0.84 P2RY12 (0.44) P2RY12FBP1MAPTPSEN1PSEN2
SCHEMBL12161000 0.83 P2RY12 (0.44) P2RY12FBP1MAPTAKR1C3AKR1C2
SCHEMBL14228472 0.83 P2RY12 (0.43) P2RY12FBP1MAPTPSEN1PSEN2

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