SCHEMBL31361346

SCHEMBL31361346

COCCOc1ccc(Cc2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAT2A P31153 1/20 0.38
▸ HRH3 Q9Y5N1 8/20 0.37
▸ LTA4H P09960 4/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALKBH3 Q96Q83 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
SCHEMBL31361266 0.91 MEN1 (0.48) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361342 0.88 LTA4H (0.37) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361339 0.88 MAT2A (0.39) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361448 0.86 P2RX3 (0.39) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361403 0.86 MAT2A (0.39) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361411 0.85 MAT2A (0.52) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361350 0.84 MAT2A (0.42) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361364 0.83 KMT2A (0.40) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361455 0.82 KMT2A (0.40) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL31361380 0.82 NPSR1 (0.43) 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