SCHEMBL1258699

SCHEMBL1258699

CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2ccccc2)c1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 9/20 0.82
ALB P02768 1/20 0.82
HTR1A P08908 1/20 0.82
SLC6A2 P23975 1/20 0.82
PDE4A P27815 1/20 0.82
OPRM1 P35372 1/20 0.82
DRD3 P35462 1/20 0.82
HTR2B P41595 1/20 0.82
SLC6A3 Q01959 1/20 0.82
PDE4D Q08499 1/20 0.82
SHH Q15465 1/20 0.82
SLC29A1 Q99808 1/20 0.82
SMO Q99835 1/20 0.82
ABCG2 Q9UNQ0 1/20 0.82

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
SCHEMBL12917417 0.94 USP28 (0.79) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12918159 0.94 USP28 (0.75) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12917387 0.94 USP28 (0.78) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12917384 0.93 USP28 (0.76) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12917437 0.93 USP28 (0.76) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12917078 0.93 USP28 (0.79) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12917107 0.93 USP28 (0.79) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12917436 0.92 USP28 (0.75) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12917005 0.92 USP28 (0.75) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12916988 0.92 USP28 (0.78) USP28ALBHTR1ASLC6A2PDE4A

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
WO-2011014888-A1 NOVEL HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS (US) 2011-02-03 WO disclosed
WO-2011014888-A1 NOVEL HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS (US) 2011-02-03 WO disclosed