SCHEMBL10113845

SCHEMBL10113845

C1=CC(Oc2ncccn2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL7540308 0.78
SCHEMBL10273562 0.69 LTA4H (0.44) KMT2AKDM4EMAPT
SCHEMBL21782853 0.69 TRPA1 (0.45) ALDH1A1LMNASMN1; SMN2NPC1MAPT
SCHEMBL21540141 0.67 LTA4H (0.46)
SCHEMBL44749 0.67 MEN1 (0.52) MEN1APAF1KMT2AKDM4EALDH1A1
SCHEMBL19513069 0.65 GABRA1 (0.37)
SCHEMBL14613666 0.64 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1683755 0.64
SCHEMBL21442279 0.64
SCHEMBL449127 0.64

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-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed