SCHEMBL28952974

SCHEMBL28952974

COc1cc2c([N+](=O)[O-])cccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL17023282 0.85 KMT2A (0.47) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL29811767 0.81 KMT2A (0.44) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL19252150 0.81 KMT2A (0.44) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL28246138 0.74 HTR6 (0.52) HTR6KMT2AMEN1ALDH1A1MAPT
SCHEMBL30958211 0.74 MEN1 (0.45) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL17422100 0.74 AGTR1 (0.41) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL26380620 0.73 MEN1 (0.41) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL3241536 0.71 HTR6 (0.61) HTR6KMT2AMEN1ALDH1A1HTR2A
SCHEMBL29687030 0.71 HTR6 (0.61) HTR6KMT2AMEN1ALDH1A1HTR2A
SCHEMBL23144691 0.70 HTR2A (0.46) HTR6KMT2AMEN1ALDH1A1MAPT

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-115677722-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2023-02-03 CN disclosed