SCHEMBL10666249

SCHEMBL10666249

CCC(OC(=O)C=Cc1ccccc1)c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSPA5 P11021 1/20 0.35
MEN1 O00255 1/20 0.35
STAT1 P42224 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.34

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
SCHEMBL9837932 0.87 NPC1 (0.42) NPC1RAB9ASMN1; SMN2HPGDALOX15
SCHEMBL9837751 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KMT2AHPGD
SCHEMBL9838903 0.86 RAB9A (0.40) NPC1RAB9ASMN1; SMN2KMT2AHPGD
SCHEMBL10518993 0.86 NPC1 (0.40) NPC1RAB9ASMN1; SMN2HPGDALOX15
SCHEMBL9839261 0.86 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AHPGD
SCHEMBL10524820 0.85 HSPA5 (0.40) NPC1RAB9ASMN1; SMN2KMT2AHPGD
SCHEMBL10667122 0.84 KDM4E (0.40) KMT2AKDM4EALOX15MAPK1HSPA5
SCHEMBL10666263 0.81 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL9837900 0.81 HSPA5 (0.43) NPC1RAB9ASMN1; SMN2KMT2AHPGD
SCHEMBL10737592 0.80 HSPA5 (0.44) NPC1RAB9ASMN1; SMN2KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4735951-A Novel 4-hydroxy-3-quinoline-carboxylates having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1988-04-05 US disclosed