SCHEMBL31361405

SCHEMBL31361405

COc1ccccc1/C=C/c1c(C)[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 2/20 0.41
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PTGS1 P23219 4/20 0.37
▸ PTGS2 P35354 4/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ CSK P41240 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ PTK6 Q13882 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 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
SCHEMBL31361458 0.86 HTT (0.42) MAT2AMAPTSMN1; SMN2TRPA1GAA
SCHEMBL31361355 0.84 MAPT (0.40) MAT2AMAPTSMN1; SMN2GAAKDM4E
SCHEMBL31361444 0.81 MAT2A (0.41) MAT2AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31361321 0.80 MAT2A (0.41) MAT2AMAPTSMN1; SMN2ADRA1AADRA1B
SCHEMBL19936241 0.78 MAT2A (0.56) MAT2AGAAKDM4EMEN1KMT2A
SCHEMBL19926567 0.77 MAT2A (0.52) MAT2AMAPTSMN1; SMN2HPGDKDM4E
SCHEMBL31361294 0.77 NPSR1 (0.43) MAT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL31361416 0.76 TUBB4A (0.41) MAT2ASMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL31361364 0.76 KMT2A (0.40) MAT2ASMN1; SMN2HPGDKDM4EMEN1
SCHEMBL19927470 0.76 MAT2A (0.50) MAT2AMAPTSMN1; SMN2HPGDKDM4E

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-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 — — CN disclosed
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