SCHEMBL16631774

SCHEMBL16631774

CCn1cc2c(=O)c(C)c(C)[nH]c2nc1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
ABCC4 O15439 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 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
SCHEMBL16631772 0.85 KMT2A (0.32) MEN1KMT2ALMNAABCC4PKM
SCHEMBL16631683 0.83 MEN1 (0.30) MEN1KMT2ALMNAABCC4PKM
SCHEMBL16631558 0.82 SMN1; SMN2 (0.32) MEN1KMT2ALMNAABCC4PKM
SCHEMBL18081845 0.80 KDM4E (0.33) KMT2AKDM4EALDH1A1
SCHEMBL16631758 0.78 LMNA (0.30) LMNA
SCHEMBL18080585 0.76
SCHEMBL16631756 0.72 ADORA1 (0.34) LMNA
SCHEMBL16631759 0.71 KMT2A (0.32) MEN1KMT2ALMNAABCC4PKM
SCHEMBL18081980 0.71 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL16631362 0.70 KDM4E (0.33) KDM4EALDH1A1

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed