SCHEMBL29909552

SCHEMBL29909552

CC(=O)Nc1ccc(-c2cccc(N(C)c3nc4nncn4c4cc(N)ccc34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.38
PARP1 P09874 2/20 0.37
DHODH Q02127 2/20 0.37
TP53 P04637 1/20 0.37
BACE1 P56817 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PLAU P00749 1/20 0.36
ATM Q13315 2/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
HDAC1 Q13547 1/20 0.35
CSF1R P07333 1/20 0.35
MTOR P42345 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL23577153 1.00 AOC3 (0.38) AOC3PARP1DHODHTP53BACE1
SCHEMBL23576968 0.90 TP53 (0.47) AOC3TP53MTNR1AMTNR1BPLAU
SCHEMBL29909468 0.90 TP53 (0.47) AOC3TP53MTNR1AMTNR1BPLAU
SCHEMBL23577181 0.90 IDO1 (0.37) AOC3TP53MTNR1AMTNR1BPLAU
SCHEMBL29909015 0.90 IDO1 (0.37) AOC3TP53MTNR1AMTNR1BPLAU
SCHEMBL23601408 0.89 KMT2A (0.39) AOC3DHODHTP53MTNR1AMTNR1B
SCHEMBL29909110 0.89 KMT2A (0.39) AOC3DHODHTP53MTNR1AMTNR1B
SCHEMBL29909696 0.88 TP53 (0.35) AOC3PARP1DHODHTP53MTNR1A
SCHEMBL23576961 0.88 TP53 (0.35) AOC3PARP1DHODHTP53MTNR1A
SCHEMBL23576886 0.88 FGFR1 (0.35) AOC3DHODHTP53MTNR1AMTNR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed