SCHEMBL13638535

SCHEMBL13638535

O=C(Nc1ccc(-n2cnc3ccc(F)cc3c2=O)cc1)NS(=O)(=O)C1=CCC(Cl)S1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.36
ATM Q13315 6/20 0.36
GCK P35557 1/20 0.35
IDO1 P14902 3/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
TDO2 P48775 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK10 P53779 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 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
SCHEMBL14113578 0.85 ESR1 (0.37) MAPK14ATMAURKAKDRAURKB
SCHEMBL13638583 0.81 MAPK14 (0.35) MAPK14ATMMAPTLMNAKMT2A
SCHEMBL9922686 0.80 P2RY12 (0.51) MAPK14ATMTP53MAPTAURKA
SCHEMBL12177317 0.79 POLB (0.35) IDO1TP53MAPTTDO2KMT2A
SCHEMBL13182890 0.77 POLB (0.34) IDO1TDO2
SCHEMBL14113598 0.75 MAPK14 (0.31) MAPK14
SCHEMBL14113600 0.74 P2RY12 (0.33)
SCHEMBL9920095 0.74 P2RY12 (0.51) ATMTP53MAPTKMT2AAURKA
SCHEMBL13638646 0.73 ATM (0.42) ATM
SCHEMBL9922502 0.72 MAPT (0.35) MAPT

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