SCHEMBL31361060

SCHEMBL31361060

COc1ccc(CNc2cc(Cl)nc(Cl)c2C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.52
NCF1 P14598 1/20 0.47
VNN1 O95497 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ASPH Q12797 1/20 0.46
RIOX2 Q8IUF8 1/20 0.46
KDM8 Q8N371 1/20 0.46
JAK2 O60674 1/20 0.45
AURKA O14965 2/20 0.45
RPS6KB1 P23443 2/20 0.45
ZAP70 P43403 1/20 0.45
KARS1 Q15046 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
AURKB Q96GD4 1/20 0.43
ACP1 P24666 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL27033267 0.84 KDM4C (0.51) KDM4ERPS6KB1MEN1KMT2AGAA
SCHEMBL30595530 0.84 KDM4C (0.51) KDM4ERPS6KB1MEN1KMT2AGAA
SCHEMBL2481240 0.80 KDM4E (0.56) CD38VNN1KDM4EASPHRIOX2
SCHEMBL30887705 0.78 GAA (0.52) CD38KDM4EASPHRIOX2KDM8
SCHEMBL23039888 0.78 CD38 (0.51) CD38NCF1VNN1KDM4EASPH
SCHEMBL29499779 0.78 CD38 (0.51) CD38NCF1VNN1KDM4EASPH
SCHEMBL18755669 0.77 MEN1 (0.46) NCF1KDM4EASPHRIOX2KDM8
SCHEMBL20061544 0.75 AURKA (0.59) VNN1AURKARPS6KB1MEN1KMT2A
SCHEMBL9262572 0.75 KDM4E (0.60) CD38VNN1KDM4EAURKARPS6KB1
SCHEMBL29692343 0.74 PDE5A (0.50) NCF1KDM4EASPHRIOX2KDM8

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
CN-119176820-A Tricyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2024-12-24 CN disclosed