SCHEMBL16631922

SCHEMBL16631922

CCc1cc2c(C)c(C)c(C)[nH]c-2nc1=S

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRK1 P41145 1/20 0.31

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
SCHEMBL16631452 0.86 L3MBTL1 (0.33) L3MBTL1MAPTKMT2ARXFP1KDM4E
SCHEMBL16631707 0.80 KMT2A (0.31) MAPTKMT2ARXFP1
SCHEMBL18081948 0.80 L3MBTL1 (0.35) L3MBTL1MAPTKMT2AKDM4EOPRK1
SCHEMBL16631553 0.76 KMT2A (0.33) KMT2A
SCHEMBL16631938 0.74 KMT2A (0.36) MAPTKMT2ARXFP1KDM4EALDH1A1
SCHEMBL18080504 0.74 L3MBTL1 (0.32) L3MBTL1MAPTKMT2AOPRK1
SCHEMBL16631679 0.70 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL18081939 0.69 NPC1 (0.32) KDM4E
SCHEMBL16631912 0.69 HSP90AA1 (0.33)
SCHEMBL16631709 0.68 NR1I3 (0.41) MAPTKMT2ARXFP1KDM4EALDH1A1

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