SCHEMBL31361342

SCHEMBL31361342

COCCOc1cc(Cc2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)ccc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SIGMAR1 Q99720 2/20 0.36
▸ MAT2A P31153 1/20 0.36
▸ HRH1 P35367 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PDE2A O00408 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ADORA2A P29274 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 0.93 KMT2A (0.40) LTA4HKMT2AMEN1HTTSMN1; SMN2
SCHEMBL31361356 0.92 KMT2A (0.41) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL31361366 0.89 KMT2A (0.38) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL31361455 0.89 KMT2A (0.40) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL31361380 0.88 NPSR1 (0.43) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL31361346 0.88 MEN1 (0.39) LTA4HKMT2AMEN1HTTSMN1; SMN2
SCHEMBL31361399 0.87 RNASEH1 (0.40) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL31361426 0.87 MAT2A (0.41) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL31361311 0.87 HTT (0.39) LTA4HKMT2AMEN1HTTSMN1; SMN2
SCHEMBL31361465 0.87 NR3C1 (0.38) KMT2AMEN1HTTSMN1; SMN2NPSR1

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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