SCHEMBL9837932

SCHEMBL9837932

CCC(OC(=O)c1ccccc1)c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.40
SCD O00767 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
HSPA5 P11021 1/20 0.38
HSPA2 P54652 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 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
SCHEMBL9604885 0.92 NPC1 (0.40) NPC1RAB9AHPGDSMN1; SMN2SCD
SCHEMBL9837751 0.90 NPC1 (0.41) NPC1RAB9AHPGDSMN1; SMN2RECQL
SCHEMBL9838903 0.90 RAB9A (0.40) NPC1RAB9AHPGDSMN1; SMN2RECQL
SCHEMBL9839261 0.89 NPC1 (0.40) NPC1RAB9AHPGDSMN1; SMN2RECQL
SCHEMBL10518993 0.89 NPC1 (0.40) NPC1RAB9AHPGDSMN1; SMN2RECQL
SCHEMBL10524820 0.88 HSPA5 (0.40) NPC1RAB9AHPGDSMN1; SMN2RECQL
SCHEMBL10667122 0.88 KDM4E (0.40) HSPA5HSPA2ALOX15MAPK1
SCHEMBL10666249 0.87 NPC1 (0.41) NPC1RAB9AHPGDSMN1; SMN2RECQL
SCHEMBL9837900 0.84 HSPA5 (0.43) NPC1RAB9AHPGDSMN1; SMN2RECQL
SCHEMBL10737592 0.83 HSPA5 (0.44) NPC1RAB9AHPGDSMN1; SMN2RECQL

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