SCHEMBL31565663

SCHEMBL31565663

NC(=O)c1ccccc1N1CCCC1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.96
KDM4E B2RXH2 3/20 0.62
MAPT P10636 3/20 0.62
HSD17B10 Q99714 2/20 0.62
MEN1 O00255 1/20 0.62
THRB P10828 1/20 0.62
ALOX15 P16050 1/20 0.62
GFER P55789 1/20 0.62
YWHAG P61981 1/20 0.62
KMT2A Q03164 1/20 0.62
HTT P42858 2/20 0.60
ALDH1A1 P00352 4/20 0.53
CDC7 O00311 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CDK9 P50750 1/20 0.53
KEAP1 Q14145 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.48
TSHR P16473 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ATM Q13315 2/20 0.48

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
SCHEMBL3654065 1.00 NPC1 (0.96) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL3083169 0.98 NPC1 (1.00) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL605593 0.98 NPC1 (1.00) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL17009548 0.96 NPC1 (0.89) NPC1KDM4EMAPTHSD17B10MEN1
Trifluoroacetic Acid SCHEMBL5104669 0.87 NPC1 (0.79) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL3961543 0.86 NPC1 (0.72) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL7102897 0.86 NPC1 (0.73) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL7101608 0.84 NPC1 (0.76) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL28086833 0.84 NPC1 (0.70) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL325422 0.84 NPC1 (0.70) NPC1KDM4EMAPTMEN1KMT2A

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
WO-2025078808-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 WO disclosed