SCHEMBL9605728

SCHEMBL9605728

COCC(Cl)c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9605409 0.91 HTT (0.42) HTTLMNATSHRRAB9ANPC1
SCHEMBL10660942 0.89 HTT (0.44) HTTLMNATSHRRAB9ANPC1
SCHEMBL10941363 0.89 LMNA (0.43) HTTLMNATSHRRAB9ANPC1
SCHEMBL9605284 0.86 RAB9A (0.39) HTTLMNATSHRRAB9ANPC1
SCHEMBL11620300 0.86 HTT (0.44) HTTLMNATSHRRAB9ANPC1
SCHEMBL10942295 0.86 HTT (0.44) HTTLMNATSHRRAB9ANPC1
SCHEMBL10659235 0.85 HTT (0.43) HTTLMNATSHRRAB9ANPC1
SCHEMBL9601722 0.84 SCN9A (0.45) HTTLMNATSHRRAB9ANPC1
SCHEMBL9837900 0.84 HSPA5 (0.43) HTTLMNATSHRRAB9ANPC1
SCHEMBL10744027 0.84 HTT (0.42) HTTLMNATSHRRAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214004-B1 4-OH-QUINOLINE-CARBOXYLIC-ACID DERIVATIVES SUBSTITUTED IN POSITION 2 BY A DIHYDROXY-SUBSTITUTED GROUP, POSSIBLY ETHERIFIED OR ESTERIFIED, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-03-31 EP disclosed
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
EP-0214004-A2 4-OH-quinoline-carboxylic-acid derivatives substituted in position 2 by a dihydroxy-substituted group, possibly etherified or esterified, process and intermediates for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1987-03-11 EP disclosed