SCHEMBL28793930

SCHEMBL28793930

Cc1c(C(N)=O)cccc1N1CCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
THRB P10828 1/20 0.47
GFER P55789 1/20 0.47
YWHAG P61981 1/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CDC7 O00311 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL20587384 0.95 NPC1 (0.71) NPC1MAPTMEN1KMT2AKDM4E
SCHEMBL3436295 0.87 NPC1 (0.51) NPC1MAPTMEN1KMT2AKDM4E
Pyrrole SCHEMBL28237296 0.87 NPC1 (0.60) NPC1MAPTMEN1KMT2AKDM4E
SCHEMBL1742844 0.86 ADRB1 (0.59) NPC1HSD17B10TSHRADRB1
SCHEMBL17009548 0.82 NPC1 (0.89) NPC1MAPTMEN1KMT2AKDM4E
SCHEMBL5532619 0.81 NPC1 (0.51) NPC1MAPTMEN1KMT2AKDM4E
SCHEMBL6105727 0.80 NPC1 (0.54) NPC1MAPTMEN1KMT2AKDM4E
SCHEMBL2612163 0.80 NPC1 (0.54) NPC1MAPTMEN1KMT2AKDM4E
SCHEMBL3654065 0.79 NPC1 (0.96) NPC1MAPTMEN1KMT2AKDM4E
SCHEMBL31565663 0.79 NPC1 (0.96) NPC1MAPTMEN1KMT2AKDM4E

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
CN-101910161-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2010-12-08 CN disclosed