SCHEMBL31361458

SCHEMBL31361458

COc1ccc(/C=C/c2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAT2A P31153 2/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ PKM P14618 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ GAA P10253 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL31361355 0.90 MAPT (0.40) HTTNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL31361405 0.86 MAT2A (0.41) MEN1KMT2ASMN1; SMN2MAT2AMAPT
SCHEMBL19926567 0.86 MAT2A (0.52) HTTNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL31361294 0.85 NPSR1 (0.43) HTTNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL31361444 0.83 MAT2A (0.41) NPSR1MEN1KMT2ASMN1; SMN2MAT2A
SCHEMBL31361266 0.83 MEN1 (0.48) HTTNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL31361431 0.83 NPSR1 (0.42) HTTNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL31361295 0.82 NPSR1 (0.41) HTTNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL31361394 0.82 NPSR1 (0.41) HTTNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL31361371 0.82 NPSR1 (0.41) HTTNPSR1MEN1KMT2ASMN1; SMN2

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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