SCHEMBL4731375

SCHEMBL4731375

CSc1ccc(-c2ccccc2NC(=O)Oc2cn[nH]c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CHRM3 P20309 5/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PLA2G1B P04054 2/20 0.36
THRB P10828 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL2362698 0.82 ABCG2 (0.46) KMT2AABCB1ABCG2L3MBTL1LMNA
SCHEMBL4780539 0.79 CHRM3 (0.45) MEN1KMT2ACHRM3NPSR1CHRM2
SCHEMBL4602252 0.78 CHRM3 (0.51) MEN1KMT2ACHRM3NPSR1ROCK2
SCHEMBL5087704 0.77 CHRM3 (0.47) MEN1KMT2ACHRM3L3MBTL1LMNA
SCHEMBL5081617 0.77 CHRM3 (0.47) MEN1KMT2ACHRM3L3MBTL1MAPT
SCHEMBL5085060 0.75 CHRM3 (0.49) MEN1KMT2ACHRM3NPSR1ROCK2
SCHEMBL5084476 0.75 ALDH1A1 (0.50) CHRM3THRBNPSR1ROCK2ALDH1A1
SCHEMBL4602463 0.74 NPC1 (0.47) MEN1KMT2ACHRM3NPSR1ROCK2
SCHEMBL1128158 0.73 NPC1 (0.45) MEN1KMT2ACHRM3LMNANPSR1
SCHEMBL1128131 0.73 CHRM3 (0.47) KMT2ACHRM3THRBNPSR1MAPT

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-2008053044-A2 HETARYL CARBON ACID-N-(BIPHEN-2-YL)AMIDE COMPOUNDS BASF SE (DE) 2008-05-08 WO disclosed