SCHEMBL31361356

SCHEMBL31361356

COc1ccc(Cc2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAT2A P31153 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ APP P05067 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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) KMT2AMEN1MAPK1KDM4EALDH1A1
SCHEMBL31361342 0.92 LTA4H (0.37) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL31361366 0.90 KMT2A (0.38) KMT2AMEN1MAT2ALMNAHTT
SCHEMBL31361455 0.90 KMT2A (0.40) KMT2AMEN1ALDH1A1MAPTMAT2A
SCHEMBL31361380 0.89 NPSR1 (0.43) KMT2AMEN1ALDH1A1MAPTMAT2A
SCHEMBL31361399 0.88 RNASEH1 (0.40) KMT2AMEN1MAPK1KDM4EALDH1A1
SCHEMBL31361426 0.88 MAT2A (0.41) KMT2AMEN1KDM4EALDH1A1MAT2A
SCHEMBL31361311 0.88 HTT (0.39) KMT2AMEN1MAPK1ALDH1A1MAT2A
SCHEMBL31361381 0.87 KMT2A (0.38) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL31361416 0.87 TUBB4A (0.41) KMT2AMEN1TP53MAT2AHTT

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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