SCHEMBL29952546

SCHEMBL29952546

OB(O)c1cn(C2CCCC2)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
PKM P14618 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM2B Q8NHM5 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
SCHEMBL29951986 0.66 WDR5 (0.33) KDM2B
SCHEMBL29954484 0.65
SCHEMBL29957307 0.64
SCHEMBL29953396 0.64
SCHEMBL25424287 0.61 PKM (0.31) GAAPKM
SCHEMBL29956367 0.60 COMT (0.44) ALDH1A1KMT2A
SCHEMBL29956010 0.60
SCHEMBL29955330 0.60
SCHEMBL874829 0.59 ACHE (0.47)
SCHEMBL28809769 0.59 MEN1 (0.36) PKMMEN1ALDH1A1MAPK1KMT2A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed