SCHEMBL31361393

SCHEMBL31361393

C#Cc1cc(Cc2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)ccc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.37
▸ NPSR1 Q6W5P4 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ HTT P42858 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAT2A P31153 1/20 0.36
▸ LMNA P02545 5/20 0.33
▸ PDE10A Q9Y233 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ ALDH1A1 P00352 6/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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 0.90 KMT2A (0.40) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361455 0.90 KMT2A (0.40) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361380 0.89 NPSR1 (0.43) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361399 0.88 RNASEH1 (0.40) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361426 0.88 MAT2A (0.41) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361311 0.88 HTT (0.39) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361381 0.87 KMT2A (0.38) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361366 0.87 KMT2A (0.38) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361336 0.87 KMT2A (0.38) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361416 0.85 TUBB4A (0.41) KMT2ANPSR1MEN1HTTSMN1; 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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