SCHEMBL31361328

SCHEMBL31361328

Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 4/20 0.42
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PLA2G7 Q13093 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ NPY5R Q15761 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
SCHEMBL31361397 0.92 MAT2A (0.42) MAT2AADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL31361350 0.90 MAT2A (0.42) MAT2AALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL31361411 0.85 MAT2A (0.52) MAT2AALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL31361266 0.84 MEN1 (0.48) MAT2AALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL31361299 0.82 MAT2A (0.41) MAT2AALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL31361364 0.81 KMT2A (0.40) MAT2AALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL31361416 0.81 TUBB4A (0.41) MAT2ASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL31361448 0.81 P2RX3 (0.39) MAT2AALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL31361444 0.81 MAT2A (0.41) MAT2AALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL31361321 0.80 MAT2A (0.41) MAT2AALDH1A1SMN1; SMN2NPSR1MEN1

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