SCHEMBL4734600

SCHEMBL4734600

CSc1cccc(-c2ccccc2NC(=O)c2cccnc2Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.65
▸ KMT2A Q03164 6/20 0.54
▸ HPGD P15428 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ RXFP1 Q9HBX9 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MEN1 O00255 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ GRM4 Q14833 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ KDR P35968 1/20 0.44

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
SCHEMBL4734238 0.86 TDP1 (0.61) TDP1KMT2AHPGDALDH1A1RXFP1
SCHEMBL8074225 0.84 TDP1 (0.85) TDP1KMT2AHPGDALDH1A1RXFP1
SCHEMBL4780877 0.81 TDP1 (0.65) TDP1KMT2AHPGDALDH1A1RXFP1
SCHEMBL4928907 0.81 TDP1 (0.76) TDP1KMT2AHPGDALDH1A1RXFP1
SCHEMBL4925771 0.80 TDP1 (0.79) TDP1KMT2AHPGDALDH1A1RXFP1
SCHEMBL6018912 0.80 TDP1 (0.75) TDP1KMT2AHPGDALDH1A1RXFP1
SCHEMBL4732493 0.80 TDP1 (0.64) TDP1KMT2AHPGDALDH1A1RXFP1
SCHEMBL13455820 0.79 TDP1 (0.81) TDP1KMT2AHPGDALDH1A1RXFP1
Boscalid SCHEMBL29488452 0.79 TDP1 (1.00) TDP1KMT2AHPGDALDH1A1RXFP1
Boscalid SCHEMBL29368300 0.79 TDP1 (1.00) TDP1KMT2AHPGDALDH1A1RXFP1

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