SCHEMBL31361381

SCHEMBL31361381

CNc1cc(Cc2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)ccc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.38
▸ NPSR1 Q6W5P4 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ HTT P42858 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAT2A P31153 2/20 0.37
▸ MAPT P10636 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ P2RX7 Q99572 1/20 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 3/20 0.33
▸ GLA P06280 1/20 0.33
▸ BRPF1 P55201 2/20 0.33
▸ TPSAB1 Q15661 1/20 0.33
▸ TPSD1 Q9BZJ3 1/20 0.33

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 0.92 KMT2A (0.40) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361455 0.91 KMT2A (0.40) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361380 0.90 NPSR1 (0.43) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361311 0.89 HTT (0.39) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361426 0.89 MAT2A (0.41) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361399 0.89 RNASEH1 (0.40) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361465 0.89 NR3C1 (0.38) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361336 0.88 KMT2A (0.38) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361366 0.88 KMT2A (0.38) KMT2ANPSR1MEN1HTTSMN1; SMN2
SCHEMBL31361393 0.87 KMT2A (0.37) 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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