SCHEMBL31361364

SCHEMBL31361364

COc1ccc(Cc2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAT2A P31153 1/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HRH1 P35367 1/20 0.38
▸ PDE2A O00408 4/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 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
SCHEMBL31361366 0.94 KMT2A (0.38) KMT2ASMN1; SMN2HTTMEN1NPSR1
SCHEMBL31361455 0.94 KMT2A (0.40) KMT2ASMN1; SMN2HTTMEN1NPSR1
SCHEMBL31361356 0.94 KMT2A (0.41) KMT2ASMN1; SMN2HTTMEN1NPSR1
SCHEMBL31361380 0.93 NPSR1 (0.43) KMT2ASMN1; SMN2HTTMEN1NPSR1
SCHEMBL31361342 0.93 LTA4H (0.37) KMT2ASMN1; SMN2HTTMEN1NPSR1
SCHEMBL31361426 0.93 MAT2A (0.41) KMT2ASMN1; SMN2HTTMEN1NPSR1
SCHEMBL31361311 0.93 HTT (0.39) KMT2ASMN1; SMN2HTTMEN1NPSR1
SCHEMBL31361399 0.93 RNASEH1 (0.40) KMT2ASMN1; SMN2HTTMEN1NPSR1
SCHEMBL31361381 0.92 KMT2A (0.38) KMT2ASMN1; SMN2HTTMEN1NPSR1
SCHEMBL31361416 0.91 TUBB4A (0.41) KMT2ASMN1; SMN2HTTMEN1NPSR1

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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