SCHEMBL13638626

SCHEMBL13638626

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)C4=CCC(Cl)S4)cc3Cl)cc(C(=O)NCCN(C)C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
MCHR1 Q99705 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
SCHEMBL14113568 0.93 RPS6KB1 (0.33) RPS6KB1
SCHEMBL12177072 0.85 CA12 (0.35) SMN1; SMN2MAPTKMT2A
SCHEMBL9922633 0.84 SMN1; SMN2 (0.36) RPS6KB1SMN1; SMN2MEN1GAAMAPT
SCHEMBL12160993 0.84 P2RY12 (0.41) RPS6KB1SMN1; SMN2MEN1GAAMAPT
SCHEMBL12177104 0.80 RPS6KB1 (0.32) RPS6KB1MCHR1
SCHEMBL12177071 0.79 P2RY12 (0.41) RPS6KB1SMN1; SMN2MEN1GAAMAPT
SCHEMBL12160884 0.78 P2RY12 (0.45) RPS6KB1SMN1; SMN2MEN1GAAMAPT
SCHEMBL9922283 0.76 P2RY12 (0.37) RPS6KB1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14200753 0.76 MAPT (0.39) RPS6KB1SMN1; SMN2MEN1GAAMAPT
SCHEMBL9922208 0.76 MEN1 (0.36) RPS6KB1MEN1MAPTKMT2ALMNA

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