SCHEMBL31361401

SCHEMBL31361401

Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1Oc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 11/20 0.41
▸ HTR6 P50406 1/20 0.35
▸ NPY5R Q15761 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL31361294 0.86 NPSR1 (0.43) MAT2ANPY5RALDH1A1NPSR1LMNA
SCHEMBL31361457 0.85 MAT2A (0.41) MAT2ANPY5RALDH1A1NPSR1TSHR
SCHEMBL31361444 0.81 MAT2A (0.41) MAT2ANPY5RALDH1A1NPSR1LMNA
SCHEMBL31361328 0.80 MAT2A (0.42) MAT2ANPY5RALDH1A1POLBNPSR1
SCHEMBL31361397 0.79 MAT2A (0.42) MAT2ANPY5RALDH1A1POLBNPSR1
SCHEMBL19936241 0.78 MAT2A (0.56) MAT2ANPY5RALDH1A1LMNAMAPK1
SCHEMBL19972068 0.78 MAT2A (0.52) MAT2AALDH1A1LMNAMAPK1HSD17B10
SCHEMBL19927343 0.77 MAT2A (0.49) MAT2ANPY5RALDH1A1HSD17B10KDM4E
SCHEMBL19927385 0.76 MAT2A (0.50) MAT2AALDH1A1KDM4E
SCHEMBL19927470 0.76 MAT2A (0.50) MAT2AALDH1A1NPSR1LMNAMAPT

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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