SCHEMBL9839295

SCHEMBL9839295

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HSPA5 P11021 6/20 0.47
▸ HSPA9 P38646 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.44
▸ LMNA P02545 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSPA2 P54652 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ FFAR2 O15552 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSPA8 P11142 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ RECQL P46063 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
SCHEMBL10946561 0.91 NPC1 (0.44) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10660806 0.88 RECQL (0.46) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10665055 0.86 CYP1A2 (0.46) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10660923 0.86 NPC1 (0.44) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10945760 0.85 NPC1 (0.43) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL9839297 0.83 TLR7 (0.46) NPSR1TSHRFFAR2KDM4EHSD17B10
SCHEMBL10665884 0.83 SMN1; SMN2 (0.46) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10665753 0.80 HTT (0.49) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10665904 0.77 HSPA5 (0.60) HTTTP53L3MBTL1HSPA5HSPA9
SCHEMBL10660312 0.75 TLR7 (0.47) NPSR1LMNATSHRFFAR2KDM4E

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-4988708-A 3-Carbamoyl-4-hydroxy-2-carboxylmethyl quinoline analgesics, antiinflammatory agents ROUSSEL UCLAF (FR) 1991-01-29 — — US disclosed
US-4845105-A 4-OH-quinoline carboxylic acid amides having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1989-07-04 — — US disclosed
US-4735951-A Novel 4-hydroxy-3-quinoline-carboxylates having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1988-04-05 — — US disclosed
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