SCHEMBL31023924

SCHEMBL31023924

NNC(C(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.50
EPHX1 P07099 1/20 0.46
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PDGFRA P16234 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
RPS6KA1 Q15418 1/20 0.45
AURKB Q96GD4 1/20 0.45
CSNK1G1 Q9HCP0 1/20 0.45
AOC3 Q16853 1/20 0.45
BCAT2 O15382 1/20 0.44
CYP2D6 P10635 2/20 0.43
SRC P12931 1/20 0.43
TACR3 P29371 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL18539179 1.00 CTSD (0.50) CTSDEPHX1MAPK1CYP3A4CYP2C9
SCHEMBL11275428 0.84 CTSD (0.52) CTSDMAPK1AOC3CYP2D6SRC
SCHEMBL7500472 0.84 CTSD (0.52) CTSDMAPK1AOC3CYP2D6SRC
Hydrochloric Acid SCHEMBL11794945 0.83 CTSD (0.50) CTSDMAPK1AOC3CYP2D6SRC
SCHEMBL10211041 0.83 EPHX1 (0.46) CTSDEPHX1MAPK1CYP3A4CYP2C9
SCHEMBL13181703 0.83 EPHX1 (0.46) CTSDEPHX1MAPK1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL11163708 0.83 CTSD (0.50) CTSDMAPK1AOC3CYP2D6SRC
SCHEMBL13711161 0.83 EPHX1 (0.46) CTSDEPHX1MAPK1CYP3A4CYP2C9
SCHEMBL13447469 0.83 HDAC3 (0.47) CTSDEPHX1MAPK1CYP3A4CYP2C9
SCHEMBL8995847 0.83 HDAC3 (0.47) CTSDEPHX1MAPK1CYP3A4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4651866-A1 HYDRAZONYL SULTONES AND USES THEREOF The Research Foundation for The State University of New York (US) 2025-11-26 EP disclosed
WO-2024156007-A1 HYDRAZONYL SULTONES AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-07-25 WO disclosed