SCHEMBL31361455

SCHEMBL31361455

COc1ccc(Cc2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cc1C

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 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ MAT2A P31153 1/20 0.39
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK1 P06493 1/20 0.34

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
SCHEMBL31361364 0.94 KMT2A (0.40) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361380 0.92 NPSR1 (0.43) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361311 0.92 HTT (0.39) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361426 0.92 MAT2A (0.41) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361399 0.92 RNASEH1 (0.40) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361381 0.91 KMT2A (0.38) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361336 0.90 KMT2A (0.38) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361366 0.90 KMT2A (0.38) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361356 0.90 KMT2A (0.41) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL31361416 0.89 TUBB4A (0.41) 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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