SCHEMBL31361419

SCHEMBL31361419

COc1ccc(C(CC(F)F)c2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAT2A P31153 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ BLM P54132 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ POLB P06746 2/20 0.35

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
SCHEMBL31361388 0.92 KMT2A (0.42) KMT2AMEN1NPSR1HTTSMN1; SMN2
SCHEMBL31361368 0.92 KMT2A (0.42) KMT2AMEN1NPSR1HTTSMN1; SMN2
SCHEMBL31361449 0.89 KMT2A (0.40) KMT2AMEN1NPSR1HTTSMN1; SMN2
SCHEMBL31361469 0.89 KMT2A (0.40) KMT2AMEN1NPSR1HTTSMN1; SMN2
SCHEMBL31361371 0.88 NPSR1 (0.41) KMT2AMEN1NPSR1HTTSMN1; SMN2
SCHEMBL31361394 0.88 NPSR1 (0.41) KMT2AMEN1NPSR1HTTSMN1; SMN2
SCHEMBL31361424 0.87 NPSR1 (0.41) KMT2AMEN1NPSR1HTTSMN1; SMN2
SCHEMBL31361402 0.86 NPSR1 (0.40) KMT2AMEN1NPSR1HTTSMN1; SMN2
SCHEMBL31361334 0.86 MAT2A (0.40) KMT2AMEN1NPSR1HTTSMN1; SMN2
SCHEMBL31361378 0.85 HTT (0.39) KMT2AMEN1NPSR1HTTSMN1; 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
Send feedback