SCHEMBL16631754

SCHEMBL16631754

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
ADORA2A P29274 6/20 0.33
ADORA1 P30542 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 3/20 0.32
ABCC4 O15439 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
NFKB1 P19838 1/20 0.30
BLM P54132 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 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
SCHEMBL16631764 0.84 LMNA (0.33) MEN1KMT2AADORA2AADORA1LMNA
SCHEMBL18081779 0.81 ADORA2A (0.32) MEN1KMT2AADORA2AADORA1
SCHEMBL18080577 0.77 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL16631757 0.75 ADORA2A (0.46) MEN1KMT2AADORA2AADORA1LMNA
SCHEMBL16631759 0.75 KMT2A (0.32) MEN1KMT2ALMNAABCC4PKM
SCHEMBL16631362 0.73 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL18081974 0.71 ADORA2A (0.33) MEN1KMT2AADORA2AADORA1
SCHEMBL18080574 0.68 ADORA2A (0.32) ADORA2AADORA1
SCHEMBL16631765 0.68 NPSR1 (0.33) ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL18081983 0.67 ADORA2A (0.31) ADORA2AADORA1

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