SCHEMBL23601273

SCHEMBL23601273

CC(=O)Nc1ccc(-c2cccc(N(C)c3nc(=N)n(C=N)c4cc(Cl)ccc34)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
F10 P00742 2/20 0.37
DHODH Q02127 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MOK Q9UQ07 1/20 0.36
AOC3 Q16853 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL23601223 0.90 AOC3 (0.38) TP53KDM4EMEN1ALDH1A1HPGD
SCHEMBL23601374 0.84 DHODH (0.37) HPGDF10DHODHMAT2A
SCHEMBL23601197 0.82 MAPT (0.43) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL29909468 0.81 TP53 (0.47) TDP1TP53KDM4EMEN1ALDH1A1
SCHEMBL23576968 0.81 TP53 (0.47) TDP1TP53KDM4EMEN1ALDH1A1
SCHEMBL23600788 0.80 CHEK2 (0.37) F10
SCHEMBL23600539 0.78 MAT2A (0.35) DHODHMAT2A
SCHEMBL23601515 0.78 SLC6A4 (0.32) MAT2A
SCHEMBL23601637 0.78 DHODH (0.32) DHODH
SCHEMBL23601897 0.78 MAT2A (0.33) MAT2A

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed