SCHEMBL29909716

SCHEMBL29909716

COc1ccc(-c2cccc(N(C)c3nc4nncn4c4cc(CO)ccc34)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
KMT2A Q03164 1/20 0.35
MGLL Q99685 2/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSPO P30536 4/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 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
SCHEMBL23577277 1.00 TP53 (0.41) TP53KMT2AMGLLMTNR1AMTNR1B
SCHEMBL29909291 0.90 MGLL (0.36) TP53KMT2AMGLLALDH1A1TSHR
SCHEMBL23576658 0.90 MGLL (0.36) TP53KMT2AMGLLALDH1A1TSHR
SCHEMBL23601577 0.89 TP53 (0.39) TP53MGLL
SCHEMBL23576866 0.88 MGLL (0.35) TP53MGLL
SCHEMBL29909218 0.88 MGLL (0.35) TP53MGLL
SCHEMBL24721227 0.87 TP53 (0.41) TP53KMT2AALDH1A1TSPO
SCHEMBL23600785 0.86 TP53 (0.37) TP53ALDH1A1
SCHEMBL23576965 0.86 TP53 (0.37) TP53KMT2AALDH1A1HPGD
SCHEMBL23576643 0.86 NPM1 (0.39) TP53ALDH1A1LMNA

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