SCHEMBL4592967

SCHEMBL4592967

CC(C)N1CCC(N(CC(=O)Nc2ccc(Cl)cn2)S(=O)(=O)CCN)CC1.O=C(O)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.42
F2 P00734 1/20 0.42
POLB P06746 2/20 0.37
USP30 Q70CQ3 1/20 0.37
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DEGS1 O15121 1/20 0.35

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
SCHEMBL4592966 0.91 F10 (0.42) F10F2POLBUSP30HTT
SCHEMBL3878974 0.91 F10 (0.49) F10F2POLBUSP30RAB9A
SCHEMBL220506 0.87 F10 (0.55) F10F2POLBUSP30RAB9A
SCHEMBL3877246 0.82 F10 (0.43) F10F2POLBUSP30DEGS1
SCHEMBL3878969 0.81 F10 (0.49) F10F2POLBUSP30HTT
SCHEMBL219872 0.69 F10 (0.63) F10
SCHEMBL220656 0.68 F10 (0.59) F10F2HTT
SCHEMBL219860 0.67 F10 (0.65) F10
SCHEMBL3872360 0.67 MAPK1 (0.31)
SCHEMBL222025 0.67 F10 (0.59) F10F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888567-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis (FR) 2008-02-20 EP disclosed
WO-2006122661-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS (DE) 2006-11-23 WO disclosed