SCHEMBL29909291

SCHEMBL29909291

Cc1ccc(-c2cccc(N(C)c3nc4nncn4c4cc(CO)ccc34)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAP2K4 P45985 1/20 0.33
DHODH Q02127 2/20 0.33
CHEK1 O14757 1/20 0.32
FYN P06241 1/20 0.32
MAPT P10636 1/20 0.32
FGFR1 P11362 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
EGFR P00533 1/20 0.31
CSF1R P07333 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
SCHEMBL23576658 1.00 MGLL (0.36) MGLLTP53SMN1; SMN2MAP2K4DHODH
SCHEMBL23601577 0.92 TP53 (0.39) MGLLTP53SMN1; SMN2FYNMAPT
SCHEMBL23577277 0.90 TP53 (0.41) MGLLTP53KMT2AALDH1A1TSHR
SCHEMBL29909716 0.90 TP53 (0.41) MGLLTP53KMT2AALDH1A1TSHR
SCHEMBL29909218 0.90 MGLL (0.35) MGLLTP53SMN1; SMN2FYNFGFR1
SCHEMBL23576866 0.90 MGLL (0.35) MGLLTP53SMN1; SMN2FYNFGFR1
SCHEMBL29909017 0.87 AOC3 (0.38) MGLLTP53FYNMAPTKMT2A
SCHEMBL23600461 0.87 AOC3 (0.38) MGLLTP53FYNMAPTKMT2A
SCHEMBL23576865 0.85 MAPT (0.33) TP53SMN1; SMN2DHODHMAPTKMT2A
SCHEMBL23577190 0.85 MAT2A (0.37) TP53SMN1; SMN2MAPTKMT2AALDH1A1

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