SCHEMBL4782867

SCHEMBL4782867

Cc1c(-n2cc(C(=O)NCC(C)(C)C)nn2)cc(Nc2cc(C#N)cc(C(C)(C)C)c2)c[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.36
DDT P30046 2/20 0.31
USP30 Q70CQ3 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
KLKB1 P03952 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
SCHEMBL4779207 0.85 NR1I2 (0.38) NR1I2DDTUSP30GPR119KLKB1
SCHEMBL4783414 0.82 NR1I2 (0.35) NR1I2USP30GPR119
SCHEMBL4783774 0.78 NR1I2 (0.36) NR1I2USP30GPR119KLKB1
SCHEMBL4782660 0.77 NR1I2 (0.42) NR1I2DDTUSP30KLKB1
SCHEMBL4780027 0.75 NR1I2 (0.36) NR1I2DDTUSP30GPR119KLKB1
SCHEMBL4779210 0.75 TEK (0.41) NR1I2DDT
SCHEMBL4782188 0.74 MEN1 (0.42) NR1I2
SCHEMBL4782621 0.72 GLS (0.43) NR1I2KLKB1
SCHEMBL4778554 0.72 DDT (0.42) NR1I2DDT
SCHEMBL4782886 0.71 NR1I2 (0.38) NR1I2GPR119

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed