SCHEMBL9601722

SCHEMBL9601722

O=C(Nc1nccs1)c1c(C(O)CO)nc2c(C(F)(F)F)cccc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
RAB9A P51151 2/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL9837900 0.93 HSPA5 (0.43) SCN9ARAB9AHTTLMNATSHR
Hydrochloric Acid SCHEMBL10663011 0.92 HSPA5 (0.42) SCN9ARAB9AHTTLMNATSHR
SCHEMBL10663991 0.91 HSPA5 (0.44) SCN9ARAB9AHTTLMNATSHR
SCHEMBL9605409 0.90 HTT (0.42) SCN9ARAB9AHTTLMNATSHR
SCHEMBL10664771 0.90 HSPA5 (0.47) SCN9ARAB9AHTTLMNATSHR
SCHEMBL10375464 0.90 HTT (0.41) SCN9ARAB9AHTTLMNATSHR
SCHEMBL10659235 0.90 HTT (0.43) SCN9ARAB9AHTTLMNATSHR
SCHEMBL11620300 0.89 HTT (0.44) RAB9AHTTLMNATSHRMEN1
SCHEMBL10942295 0.89 HTT (0.44) RAB9AHTTLMNATSHRMEN1
SCHEMBL10664664 0.88 HTT (0.42) RAB9AHTTLMNATSHRMEN1

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 7 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 claimed
US-4845105-A 4-OH-quinoline carboxylic acid amides having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1989-07-04 US claimed
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 claimed
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