SCHEMBL9837900

SCHEMBL9837900

CCC(O)c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 3/20 0.43
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HSPA2 P54652 1/20 0.41
SCN9A Q15858 1/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL10663011 0.99 HSPA5 (0.42) HSPA5RAB9ARECQLHTTLMNA
SCHEMBL10663991 0.93 HSPA5 (0.44) HSPA5RAB9ARECQLHTTLMNA
SCHEMBL9601722 0.93 SCN9A (0.45) RAB9AHTTLMNATSHRSCN9A
SCHEMBL10664771 0.92 HSPA5 (0.47) HSPA5RAB9AHTTLMNATSHR
SCHEMBL9605409 0.90 HTT (0.42) RAB9AHTTLMNATSHRSCN9A
SCHEMBL10737592 0.90 HSPA5 (0.44) HSPA5RAB9ARECQLHTTLMNA
SCHEMBL10659235 0.90 HTT (0.43) HSPA5RAB9AHTTLMNATSHR
SCHEMBL10942295 0.89 HTT (0.44) HSPA5RAB9AHTTLMNATSHR
SCHEMBL11620300 0.89 HTT (0.44) HSPA5RAB9AHTTLMNATSHR
SCHEMBL10664664 0.88 HTT (0.42) HSPA5RAB9AHTTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845105-A 4-OH-quinoline carboxylic acid amides having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1989-07-04 US claimed
US-4486438-A 4-Hydroxy-3-quinoline-carboxylic acid derivatives ROUSSEL UCLAF (FR) 1984-12-04 US claimed
US-4988708-A 3-Carbamoyl-4-hydroxy-2-carboxylmethyl quinoline analgesics, antiinflammatory agents ROUSSEL UCLAF (FR) 1991-01-29 US disclosed
EP-0183584-B1 ESTERS OF DERIVATIVES OF 2-ALPHA-HYDROXY-SUBSTITUTED 4-HYDROXY-3-QUINOLINE CARBOXYLIC ACID, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-12-06 EP 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-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-4735951-A Novel 4-hydroxy-3-quinoline-carboxylates 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
EP-0183584-A1 Esters of derivatives of 2-alpha-hydroxy-substituted 4-hydroxy-3-quinoline carboxylic acid, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1986-06-04 EP disclosed
US-4486438-A 4-Hydroxy-3-quinoline-carboxylic acid derivatives ROUSSEL UCLAF (FR) 1984-12-04 US disclosed