SCHEMBL4780877

SCHEMBL4780877

CSc1ccccc1-c1ccccc1NC(=O)c1cccnc1Cl

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.65
▸ KMT2A Q03164 3/20 0.62
▸ ALDH1A1 P00352 5/20 0.56
▸ HPGD P15428 2/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ ALOX15 P16050 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ PKM P14618 1/20 0.46

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
SCHEMBL8074225 0.81 TDP1 (0.85) TDP1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL4734600 0.81 TDP1 (0.65) TDP1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL6018724 0.80 TDP1 (0.70) TDP1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL13455820 0.79 TDP1 (0.81) TDP1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL1367306 0.79 TDP1 (0.65) TDP1KMT2AALDH1A1HPGDL3MBTL1
Boscalid SCHEMBL18517 0.79 TDP1 (1.00) TDP1KMT2AALDH1A1HPGDL3MBTL1
Boscalid SCHEMBL29488452 0.79 TDP1 (1.00) TDP1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL6019378 0.79 TDP1 (0.81) TDP1KMT2AALDH1A1HPGDL3MBTL1
Boscalid SCHEMBL29368300 0.79 TDP1 (1.00) TDP1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL8299753 0.78 TDP1 (0.68) TDP1KMT2AALDH1A1HPGDL3MBTL1

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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