SCHEMBL10730705

SCHEMBL10730705

CC(C)(C)C(Cl)C(=O)Nc1c(C(=O)CC(=O)Nc2nccs2)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 4/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSPA9 P38646 1/20 0.40
▸ HSPA2 P54652 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10731537 0.91 HTT (0.42) HSPA5MEN1KMT2AHPGDHTT
SCHEMBL10737795 0.91 MEN1 (0.42) HSPA5MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL10660799 0.89 HSPA5 (0.43) HSPA5MEN1KMT2AHPGDHTT
SCHEMBL10944127 0.88 MEN1 (0.41) HSPA5MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL10660913 0.86 ALDH1A1 (0.43) HSPA5MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL10945755 0.85 MEN1 (0.44) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL10743968 0.83 HTT (0.47) HSPA5HPGDHTTSMN1; SMN2HSPA9
SCHEMBL10665874 0.83 NPC1 (0.48) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL10732199 0.83 PKM (0.45) HSPA5HPGDHTTSMN1; SMN2HSPA9
SCHEMBL10743173 0.83 METAP1 (0.41) HSPA5MEN1KMT2AHPGDHTT

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
US-4687857-A Alkyl β-oxo-benzenepropanoates Uclaf, Roussel (FR) 1987-08-18 — — US disclosed
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