SCHEMBL5202192

SCHEMBL5202192

Cc1cc(C2C(C(N)=S)CCN2C(=O)OC(C)(C)C)nc(-c2ncc[nH]2)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
CHEK2 O96017 6/20 0.34
GPR119 Q8TDV5 4/20 0.31
GRM5 P41594 1/20 0.31
POLB P06746 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL5203615 0.93 UCHL1 (0.38) UCHL1USP30CHEK2GPR119GRM5
SCHEMBL5201565 0.81 USP30 (0.36) UCHL1USP30CHEK2GPR119GRM5
SCHEMBL5201529 0.77 NR1H2 (0.43) UCHL1USP30GPR119GRM5
SCHEMBL3564512 0.77 NOS2 (0.40) USP30GPR119GRM5
SCHEMBL5204446 0.70 HCRTR1 (0.37) UCHL1USP30GRM5HCRTR1HCRTR2
SCHEMBL3564331 0.69 NOS2 (0.41) USP30GPR119GRM5
SCHEMBL4640604 0.66 AADAT (0.45)
SCHEMBL3563497 0.66 NOS2 (0.41) GPR119
SCHEMBL5199693 0.64 MAPT (0.34) HCRTR1HCRTR2
SCHEMBL3566417 0.64 NOS2 (0.42) GPR119

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-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed