SCHEMBL9564706

SCHEMBL9564706

CC(=O)Nc1nc(C(C)=O)nc2c1NC=[N+]2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9564694 0.77
SCHEMBL536840 0.76 L3MBTL1 (0.40) ALDH1A1
SCHEMBL8781884 0.72 CYP1A2 (0.38) ALDH1A1
SCHEMBL8886489 0.63 HTR1A (0.35)
SCHEMBL11831966 0.60 POLB (0.44) ALDH1A1
SCHEMBL11321959 0.57 SMN1; SMN2 (0.39) ALDH1A1
SCHEMBL1225985 0.56 GDA (0.36) ALDH1A1
SCHEMBL7556283 0.56 GDA (0.40) ALDH1A1
SCHEMBL13165599 0.55 L3MBTL1 (0.43) ALDH1A1
SCHEMBL8888536 0.54 ROCK2 (0.39) ALDH1A1

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-0521463-A2 Substituted cyclic cycloalkyltriols, process, intermediates for their preparation and their use as antiviral and antiparasitic agents HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-07 EP disclosed