SCHEMBL31361449

SCHEMBL31361449

COCCC(c1ccc(OC)cc1)c1c(C)[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAT2A P31153 2/20 0.38
▸ NTSR1 P30989 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ APAF1 O14727 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 1/20 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
SCHEMBL31361469 0.91 KMT2A (0.40) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361368 0.91 KMT2A (0.42) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361388 0.91 KMT2A (0.42) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361419 0.89 KMT2A (0.41) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361371 0.87 NPSR1 (0.41) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361394 0.87 NPSR1 (0.41) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361424 0.86 NPSR1 (0.41) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361402 0.86 NPSR1 (0.40) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361334 0.85 MAT2A (0.40) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361378 0.84 HTT (0.39) KMT2AMEN1NPSR1SMN1; SMN2HTT

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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