SCHEMBL23192467

SCHEMBL23192467

CNCSCC(N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 7/20 0.49
HTR2A P28223 3/20 0.41
HRH1 P35367 2/20 0.41
TAAR1 Q96RJ0 2/20 0.40
GBA1 P04062 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL4523623 0.76 SCN4A (0.58) SCN4ATAAR1
SCHEMBL16133830 0.76 SCN4A (0.58) SCN4ATAAR1
Hydrochloric Acid SCHEMBL8320866 0.74 SCN4A (0.56) SCN4A
Hydrochloric Acid SCHEMBL14893289 0.74 SCN4A (0.56) SCN4A
SCHEMBL14143114 0.74 TAAR1 (0.57) SCN4AHTR2AHRH1TAAR1GBA1
SCHEMBL24724279 0.74 TAAR1 (0.57) SCN4AHTR2AHRH1TAAR1GBA1
SCHEMBL8227223 0.74 TAAR1 (0.57) SCN4AHTR2AHRH1TAAR1GBA1
SCHEMBL30757891 0.73 SCN4A (0.47) SCN4AHTR2ATAAR1
SCHEMBL11403598 0.71 HTR2A (0.67) HTR2AHRH1SLC6A3
SCHEMBL9299256 0.68 MAOA (0.61) SCN4A

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
EP-3799871-A2 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOTOTIC BAX Dana Farber Cancer Institute, Inc. (US) 2021-04-07 EP disclosed