SCHEMBL10665753

SCHEMBL10665753

CC(Cl)C(=O)NC(C(=O)Nc1nccs1)C(=O)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HSPA5 P11021 4/20 0.48
▸ HSPA9 P38646 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PIN1 Q13526 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ FFAR2 O15552 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ MGAM O43451 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ HSPA2 P54652 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL10665904 0.87 HSPA5 (0.60) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL9839295 0.80 HTT (0.48) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10946561 0.79 NPC1 (0.44) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10665055 0.78 CYP1A2 (0.46) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10660806 0.77 RECQL (0.46) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10660923 0.75 NPC1 (0.44) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL27760115 0.75 NPC1 (0.68) NPSR1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL27891187 0.74 FFAR2 (0.62) HTTHSPA5HSPA9SMN1; SMN2FFAR2
SCHEMBL10945760 0.73 NPC1 (0.43) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10665884 0.73 SMN1; SMN2 (0.46) HTTTP53L3MBTL1HSPA5HSPA9

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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