SCHEMBL9602628

SCHEMBL9602628

CCC(=O)OCC(OC(=O)CC)c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSPA5 P11021 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9605284 0.94 RAB9A (0.39) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL9838903 0.93 RAB9A (0.40) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL9605133 0.89 RAB9A (0.38) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL9837897 0.87 RAB9A (0.40) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL10518993 0.87 NPC1 (0.40) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL10524820 0.87 HSPA5 (0.40) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL9604885 0.86 NPC1 (0.40) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL9837751 0.85 NPC1 (0.41) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL10663991 0.84 HSPA5 (0.44) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL9603052 0.84 SCN9A (0.39) RAB9ANPC1HPGDSMN1; SMN2MEN1

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