SCHEMBL31330024

SCHEMBL31330024

COC(=O)c1ccccc1-c1sc(C(=O)OC)c(C)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SLC6A3 Q01959 4/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ COMT P21964 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL31386905 0.73 ALDH1A1 (0.49) BRAFALDH1A1MAPTKMT2AMEN1
SCHEMBL10714869 0.73 MAPT (0.50) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL8421994 0.71 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL13982727 0.71 MAPT (0.60) BRAFALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL29410907 0.70 SLC6A3 (0.50) BRAFALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL31386783 0.70 SLC6A3 (0.41) BRAFALDH1A1SMN1; SMN2KMT2ASLC6A3
SCHEMBL1032670 0.69 ALDH1A1 (0.68) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL16635495 0.69 BRAF (0.47) BRAFALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL69464 0.69 SLC6A3 (0.67) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL9488402 0.69 SLC6A3 (0.63) BRAFALDH1A1MAPTHTTSMN1; 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-119371425-A Nitrogen-containing heterocyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2025-01-28 — — CN disclosed
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