SCHEMBL31361380

SCHEMBL31361380

COc1ccc(Cc2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cc1N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 5/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ HTT P42858 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ADRA1A P35348 5/20 0.39
▸ ADRA1B P35368 5/20 0.39
▸ MAT2A P31153 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ ADRA1D P25100 5/20 0.35
▸ HTR1A P08908 3/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ TACR3 P29371 1/20 0.35

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
SCHEMBL31361364 0.93 KMT2A (0.40) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361455 0.92 KMT2A (0.40) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361311 0.91 HTT (0.39) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361399 0.91 RNASEH1 (0.40) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361426 0.91 MAT2A (0.41) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361381 0.90 KMT2A (0.38) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361366 0.90 KMT2A (0.38) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361336 0.90 KMT2A (0.38) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361356 0.89 KMT2A (0.41) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361393 0.89 KMT2A (0.37) NPSR1MEN1KMT2AHTTSMN1; 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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