SCHEMBL29909696

SCHEMBL29909696

CC#Cc1ccc2c(N(C)c3cccc(-c4ccc(NC(C)=O)cc4)c3)nc3nncn3c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
AOC3 Q16853 2/20 0.34
ATM Q13315 2/20 0.34
MTOR P42345 1/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C19 P33261 1/20 0.32
DHODH Q02127 2/20 0.32

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
SCHEMBL23576961 1.00 TP53 (0.35) TP53MTNR1AMTNR1BAOC3ATM
SCHEMBL23577153 0.88 AOC3 (0.38) TP53MTNR1AMTNR1BAOC3ATM
SCHEMBL29909552 0.88 AOC3 (0.38) TP53MTNR1AMTNR1BAOC3ATM
SCHEMBL29909015 0.87 IDO1 (0.37) TP53MTNR1AMTNR1BAOC3ATM
SCHEMBL23576968 0.87 TP53 (0.47) TP53MTNR1AMTNR1BAOC3ATM
SCHEMBL29909468 0.87 TP53 (0.47) TP53MTNR1AMTNR1BAOC3ATM
SCHEMBL23577181 0.87 IDO1 (0.37) TP53MTNR1AMTNR1BAOC3ATM
SCHEMBL23601408 0.86 KMT2A (0.39) TP53MTNR1AMTNR1BAOC3ATM
SCHEMBL23576632 0.86 ALDH1A1 (0.32) ALDH1A1MAPTDHODH
SCHEMBL29909110 0.86 KMT2A (0.39) TP53MTNR1AMTNR1BAOC3ATM

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
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed