SCHEMBL10660799

SCHEMBL10660799

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 3/20 0.43
▸ HSPA2 P54652 1/20 0.41
▸ FFAR2 O15552 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 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
SCHEMBL10737795 0.91 MEN1 (0.42) HSPA5FFAR2MEN1KMT2AHPGD
SCHEMBL10731537 0.89 HTT (0.42) HSPA5HSPA2FFAR2MEN1KMT2A
SCHEMBL10730705 0.89 HSPA5 (0.43) HSPA5HSPA2MEN1KMT2AHPGD
SCHEMBL10944127 0.88 MEN1 (0.41) HSPA5MEN1KMT2AHPGDL3MBTL1
SCHEMBL10660913 0.86 ALDH1A1 (0.43) HSPA5HSPA2MEN1KMT2AHPGD
SCHEMBL10945755 0.85 MEN1 (0.44) FFAR2MEN1KMT2AHPGDL3MBTL1
SCHEMBL10744566 0.85 HSPA5 (0.49) HSPA5HSPA2MEN1KMT2AALOX15
SCHEMBL10731555 0.83 PKM (0.46) HSPA5HSPA2FFAR2HPGDPKM
SCHEMBL10665874 0.83 NPC1 (0.48) MEN1KMT2AHPGDL3MBTL1PKM
SCHEMBL10743173 0.83 METAP1 (0.41) HSPA5HSPA2MEN1KMT2AHPGD

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-4736033-A Certain 1,3-dihydro-1-[heterocyclic)imino]-furo-[3,4-b]quinoline 9-ol compounds having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1988-04-05 — — US disclosed
US-4596875-A Reacting benzoxazole compound with amide to decyclize, cyclizing to form quinoline derivative ROUSSEL UCLAF (FR) 1986-06-24 — — US disclosed
US-4486438-A 4-Hydroxy-3-quinoline-carboxylic acid derivatives ROUSSEL UCLAF (FR) 1984-12-04 — — US disclosed
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