SCHEMBL21698103

SCHEMBL21698103

CNc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KMT2A Q03164 6/20 0.64
NT5E P21589 1/20 0.64
MAPK1 P28482 1/20 0.64
MAPT P10636 2/20 0.60
HSD17B10 Q99714 1/20 0.60
KCNQ3 O43525 1/20 0.58
KCNQ2 O43526 1/20 0.58
KCNE1 P15382 1/20 0.58
KCNQ1 P51787 1/20 0.58
NAMPT P43490 1/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 5/20 0.57
TDP1 Q9NUW8 1/20 0.57
PRMT1 Q99873 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
NLRP1 Q9C000 1/20 0.56

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
SCHEMBL9767723 0.90 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL611657 0.90 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL8420420 0.90 NPC1 (0.69) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL17013406 0.90 NPC1 (0.69) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL10939703 0.90 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL16589425 0.85 MAPT (0.77) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL493839 0.85 RAB9A (0.81) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL10192061 0.85 RAB9A (0.81) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL2409003 0.83 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL8978050 0.83 KMT2A (0.61) NPC1RAB9ASMN1; SMN2KMT2AMAPK1

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
EP-3398970-B1 A METHOD OF SYNTHESIZING CELLULOSE CARBONATE AGENCY SCIENCE TECH & RES (SG) 2020-02-12 EP disclosed