SCHEMBL10737795

SCHEMBL10737795

O=C(CC(=O)c1cccc(C(F)(F)F)c1NC(=O)C(Cl)Cl)Nc1nccs1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 4/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ FFAR2 O15552 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HSPA5 P11021 2/20 0.39

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
SCHEMBL10944127 0.91 MEN1 (0.41) MEN1KMT2AL3MBTL1HPGDNPC1
SCHEMBL10730705 0.91 HSPA5 (0.43) MEN1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL10731537 0.91 HTT (0.42) MEN1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL10660799 0.91 HSPA5 (0.43) MEN1KMT2AL3MBTL1HPGDFFAR2
SCHEMBL10660913 0.90 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1HPGDNPC1
SCHEMBL10945755 0.89 MEN1 (0.44) MEN1KMT2AL3MBTL1HPGDNPC1
SCHEMBL10665874 0.84 NPC1 (0.48) MEN1KMT2AL3MBTL1HPGDNPC1
SCHEMBL10743173 0.82 METAP1 (0.41) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL10743968 0.81 HTT (0.47) L3MBTL1HPGDTP53SMN1; SMN2ALDH1A1
SCHEMBL10744566 0.81 HSPA5 (0.49) MEN1KMT2AHSPA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4687857-A Alkyl β-oxo-benzenepropanoates Uclaf, Roussel (FR) 1987-08-18 — — US disclosed
US-4518775-A Benzoxazine-4-one intermediates ROUSSEL UCLAF (FR) 1985-05-21 — — US disclosed
US-4397856-A Analgesic 4-hydroxy-3-quinolinecarboxamides ROUSSEL UCLAF (FR) 1983-08-09 — — US disclosed
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