SCHEMBL30829022

SCHEMBL30829022

COc1cc(S(=O)(=O)N(C)C)cnc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 9/20 0.46
▸ POLB P06746 3/20 0.46
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ VCAM1 P19320 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KCNH2 Q12809 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL26647137 1.00 MAPT (0.49) MAPTNPC1ALDH1A1POLBKMT2A
SCHEMBL26975273 0.81 ALDH1A1 (0.44) MAPTNPC1ALDH1A1POLBKMT2A
SCHEMBL26647445 0.76 MAPT (0.50) MAPTALDH1A1POLBKMT2AHTT
SCHEMBL23144776 0.75 MAPT (0.60) MAPTALDH1A1POLBKMT2AHTT
SCHEMBL30829006 0.74 MAPT (0.40) MAPTNPC1ALDH1A1KMT2AHTT
SCHEMBL30032133 0.73 ALDH1A1 (0.41) MAPTNPC1ALDH1A1KMT2AHTT
SCHEMBL195009 0.72 MAPT (0.40) MAPTNPC1ALDH1A1KMT2AHTT
SCHEMBL26646972 0.72 MAPT (0.40) MAPTNPC1ALDH1A1KMT2AHTT
SCHEMBL15561341 0.72 ALDH1A1 (0.74) MAPTALDH1A1POLBKMT2AHTT
SCHEMBL20935069 0.71 HTT (0.40) MAPTALDH1A1KMT2AHTTLMNA

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-117794529-A POLO-like kinase 4 inhibitors 欧瑞克制药公司 2024-03-29 — — CN disclosed
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