SCHEMBL31361339

SCHEMBL31361339

Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1Cc1ccc(OCC2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 3/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GPR4 P46093 4/20 0.36
▸ HPGD P15428 2/20 0.35
▸ KIT P10721 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ GRM2 Q14416 1/20 0.33

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
SCHEMBL31361266 0.88 MEN1 (0.48) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361346 0.88 MEN1 (0.39) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361448 0.86 P2RX3 (0.39) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361403 0.85 MAT2A (0.39) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361411 0.84 MAT2A (0.52) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361350 0.83 MAT2A (0.42) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361364 0.81 KMT2A (0.40) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361455 0.80 KMT2A (0.40) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361299 0.79 MAT2A (0.41) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361328 0.79 MAT2A (0.42) MAT2AMEN1KMT2ASMN1; SMN2NPSR1

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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