SCHEMBL10665884

SCHEMBL10665884

COCC(=O)NC(C(=O)Nc1nccs1)C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ HSPA5 P11021 2/20 0.42
▸ HSPA9 P38646 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ PKM P14618 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC5 Q9UQL6 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
SCHEMBL10945760 0.88 NPC1 (0.43) SMN1; SMN2TP53HTTL3MBTL1NPC1
SCHEMBL10946561 0.86 NPC1 (0.44) SMN1; SMN2TP53HTTL3MBTL1NPC1
SCHEMBL10660806 0.84 RECQL (0.46) SMN1; SMN2TP53HTTL3MBTL1NPC1
SCHEMBL9839295 0.83 HTT (0.48) SMN1; SMN2TP53HTTL3MBTL1NPC1
SCHEMBL10665055 0.82 CYP1A2 (0.46) SMN1; SMN2TP53HTTL3MBTL1NPC1
SCHEMBL10660923 0.80 NPC1 (0.44) SMN1; SMN2TP53HTTL3MBTL1NPC1
SCHEMBL10665753 0.73 HTT (0.49) SMN1; SMN2TP53HTTL3MBTL1NPC1
SCHEMBL10351392 0.70 NPC1 (0.48) SMN1; SMN2TP53HTTL3MBTL1NPC1
SCHEMBL10665904 0.70 HSPA5 (0.60) SMN1; SMN2TP53HTTL3MBTL1NPC1
SCHEMBL10660312 0.69 TLR7 (0.47) NPSR1

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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