SCHEMBL10936727

SCHEMBL10936727

CCCCCCCOc1ccc(-c2c(F)cc(C#N)cc2Cl)cc1.Cc1ccc(-c2c(Cl)cc(C#N)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 3/20 0.39
▸ MGAT2 Q10469 2/20 0.38
▸ RARB P10826 4/20 0.38
▸ NR5A1 Q13285 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ USP2 O75604 1/20 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
SCHEMBL10933040 0.94 KDM4E (0.51) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10930409 0.94 KDM4E (0.51) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10929260 0.94 KDM4E (0.51) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10929232 0.93 KDM4E (0.49) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10930112 0.91 KDM4E (0.45) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10945415 0.89 KDM4E (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10897386 0.89 KDM4E (0.56) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10891965 0.89 KDM4E (0.56) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10891436 0.87 KDM4E (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10929944 0.86 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHTTL3MBTL1

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
EP-0090183-B1 POLYHALOGENATED AROMATIC COMPOUNDS MERCK PATENT GmbH (DE) 1986-02-19 — — EP disclosed
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