SCHEMBL31361371

SCHEMBL31361371

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAT2A P31153 4/20 0.40
▸ PKM P14618 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 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
SCHEMBL31361394 1.00 NPSR1 (0.41) NPSR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL31361402 0.91 NPSR1 (0.40) NPSR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL31361334 0.91 MAT2A (0.40) NPSR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL31361424 0.90 NPSR1 (0.41) NPSR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL31361406 0.90 NPSR1 (0.41) NPSR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL31361388 0.90 KMT2A (0.42) NPSR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL31361368 0.90 KMT2A (0.42) NPSR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL31361410 0.89 ALDH1A1 (0.39) NPSR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL31361343 0.89 ALDH1A1 (0.39) NPSR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL31361378 0.88 HTT (0.39) NPSR1HTTMEN1KMT2ASMN1; 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
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