SCHEMBL31361366

SCHEMBL31361366

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PDE2A O00408 10/20 0.37
▸ MAT2A P31153 1/20 0.37
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HRH1 P35367 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) KMT2AHTTMEN1SMN1; SMN2NPSR1
SCHEMBL31361455 0.90 KMT2A (0.40) KMT2AHTTMEN1SMN1; SMN2NPSR1
SCHEMBL31361356 0.90 KMT2A (0.41) KMT2AHTTMEN1SMN1; SMN2NPSR1
SCHEMBL31361380 0.90 NPSR1 (0.43) KMT2AHTTMEN1SMN1; SMN2NPSR1
SCHEMBL31361342 0.89 LTA4H (0.37) KMT2AHTTMEN1SMN1; SMN2NPSR1
SCHEMBL31361399 0.89 RNASEH1 (0.40) KMT2AHTTMEN1SMN1; SMN2NPSR1
SCHEMBL31361311 0.89 HTT (0.39) KMT2AHTTMEN1SMN1; SMN2NPSR1
SCHEMBL31361426 0.89 MAT2A (0.41) KMT2AHTTMEN1SMN1; SMN2NPSR1
SCHEMBL31361381 0.88 KMT2A (0.38) KMT2AHTTMEN1SMN1; SMN2NPSR1
SCHEMBL31361448 0.88 P2RX3 (0.39) KMT2AHTTMEN1SMN1; 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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