SCHEMBL31361266

SCHEMBL31361266

COc1ccc(Cc2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HTT P42858 4/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ ALKBH3 Q96Q83 2/20 0.42
▸ MAT2A P31153 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PTGS2 P35354 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ NR3C1 P04150 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL31361346 0.91 MEN1 (0.39) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361448 0.90 P2RX3 (0.39) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361403 0.90 MAT2A (0.39) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361411 0.89 MAT2A (0.52) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361364 0.89 KMT2A (0.40) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361339 0.88 MAT2A (0.39) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361350 0.88 MAT2A (0.42) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361455 0.88 KMT2A (0.40) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361380 0.87 NPSR1 (0.43) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361416 0.87 TUBB4A (0.41) MEN1KMT2ASMN1; SMN2HTTNPSR1

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