SCHEMBL10665874

SCHEMBL10665874

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.48
▸ RAB9A P51151 8/20 0.48
▸ PKM P14618 3/20 0.48
▸ HPGD P15428 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ THRB P10828 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALOX15 P16050 2/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ADRB2 P07550 1/20 0.42

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
SCHEMBL10945755 0.87 MEN1 (0.44) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL10944127 0.85 MEN1 (0.41) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL10737795 0.84 MEN1 (0.42) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL10665892 0.83 NPC1 (0.45) NPC1RAB9APKMHPGDSMN1; SMN2
SCHEMBL10739363 0.83 METAP1 (0.43) NPC1RAB9APKMHPGDSMN1; SMN2
SCHEMBL10731537 0.83 HTT (0.42) HPGDSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL10730705 0.83 HSPA5 (0.43) HPGDSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL10660799 0.83 HSPA5 (0.43) PKMHPGDL3MBTL1MEN1KMT2A
SCHEMBL10743173 0.80 METAP1 (0.41) NPC1RAB9APKMHPGDSMN1; SMN2
SCHEMBL10660913 0.80 ALDH1A1 (0.43) NPC1RAB9AHPGDSMN1; SMN2TP53

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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