SCHEMBL23601374

SCHEMBL23601374

CN(c1cccc(-c2ccc(C(C)(C)C(=O)O)cc2)c1)c1nc(=N)n(C=N)c2cc(Cl)ccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.37
MAP4K4 O95819 2/20 0.36
SLC22A12 Q96S37 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
PTGES2 Q9H7Z7 3/20 0.33
MAT2A P31153 4/20 0.33
HPGD P15428 1/20 0.33
PRMT5 O14744 1/20 0.33
PTGES O14684 1/20 0.33
SGK1 O00141 1/20 0.33
SHMT1 P34896 1/20 0.32
SHMT2 P34897 1/20 0.32
RXRA P19793 1/20 0.32
NR4A2 P43354 1/20 0.32
PTGDR Q13258 1/20 0.32
F10 P00742 1/20 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
SCHEMBL23601273 0.84 TDP1 (0.39) DHODHMAT2AHPGDF10
SCHEMBL23577248 0.81 FNTA (0.38) DHODHMAP4K4SLC22A12CSNK2A2CSNK2B
SCHEMBL29909890 0.81 FNTA (0.38) DHODHMAP4K4SLC22A12CSNK2A2CSNK2B
SCHEMBL23601520 0.80 MCHR1 (0.37)
SCHEMBL23601009 0.80 DHODH (0.33) DHODHCSNK2A2CSNK2BMAT2A
SCHEMBL23600472 0.79 KDM4E (0.34) DHODH
SCHEMBL23601515 0.77 SLC6A4 (0.32) MAT2A
SCHEMBL23601707 0.77 PDE5A (0.42) DHODHCSNK2A2CSNK2B
SCHEMBL23601637 0.77 DHODH (0.32) DHODH
SCHEMBL23601897 0.77 MAT2A (0.33) CSNK2A2CSNK2BMAT2APRMT5

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