SCHEMBL17009548

SCHEMBL17009548

NC(=O)c1ccccc1N1CCC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.89
KDM4E B2RXH2 3/20 0.57
MAPT P10636 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
GFER P55789 1/20 0.57
YWHAG P61981 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 2/20 0.56
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CDC7 O00311 2/20 0.49
CDK9 P50750 1/20 0.49
KEAP1 Q14145 1/20 0.46
TSHR P16473 3/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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 0.96 NPC1 (0.96) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL31565663 0.96 NPC1 (0.96) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL3083169 0.94 NPC1 (1.00) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL605593 0.94 NPC1 (1.00) NPC1KDM4EMAPTHSD17B10MEN1
Trifluoroacetic Acid SCHEMBL5104669 0.84 NPC1 (0.79) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL325422 0.84 NPC1 (0.70) NPC1KDM4EMAPTMEN1KMT2A
SCHEMBL29410870 0.84 NPC1 (0.70) NPC1KDM4EMAPTMEN1KMT2A
SCHEMBL1450313 0.84 NPC1 (0.70) NPC1KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL3081421 0.84 NPC1 (0.70) NPC1KDM4EMAPTHSD17B10MEN1
SCHEMBL26134988 0.84 NPC1 (0.70) NPC1KDM4EMAPTHSD17B10MEN1

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-2015123437-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2015-08-20 WO claimed