SCHEMBL29794166

SCHEMBL29794166

Nc1c[nH]c(CCCO)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
RAD52 P43351 1/20 0.41
PKM P14618 1/20 0.32
ILK Q13418 1/20 0.30

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
SCHEMBL29794154 0.94 ALDH1A1 (0.43) ALDH1A1RAD52PKMILK
SCHEMBL16897951 0.80 NOS2 (0.42) ALDH1A1PKM
SCHEMBL28375659 0.78 ALDH1A1 (0.41) ALDH1A1RAD52PKM
SCHEMBL29794144 0.76 PNP (0.33)
SCHEMBL1396274 0.75
SCHEMBL29794155 0.74 PNP (0.34)
SCHEMBL22585763 0.74 RAD52 (0.44) ALDH1A1RAD52PKM
SCHEMBL29794177 0.73 PNP (0.36) PKM
SCHEMBL1199229 0.70
SCHEMBL22585911 0.69 ALDH1A1 (0.37) ALDH1A1RAD52

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-4051270-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS AND USE THEREOF Prime Reach Trading Limited (WS) 2022-09-07 EP claimed