SCHEMBL29954965

SCHEMBL29954965

N#Cc1c(Cl)cc(B(O)O)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.41
TTR P02766 3/20 0.41
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1900659 0.73 CYP3A4 (0.50) TTRMEN1ALDH1A1TP53CYP3A4
SCHEMBL855530 0.73 ENPP2 (0.41) ENPP2MEN1ALDH1A1MAPTHPGD
SCHEMBL1317903 0.73 TRPV4 (0.52) ENPP2
SCHEMBL14120471 0.72 TRPV4 (0.52) ENPP2TTR
SCHEMBL952362 0.72 ALDH1A1 (0.45) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL2521376 0.72 TTR (0.48) ENPP2TTRMEN1ALDH1A1CYP3A4
SCHEMBL20286649 0.70 HSD17B10 (0.52) ENPP2TTRMEN1ALDH1A1CYP3A4
SCHEMBL15850516 0.70 VCAM1 (0.40) TTRMEN1ALDH1A1TP53CYP3A4
SCHEMBL12327390 0.70 ALDH1A1 (0.41) ENPP2TTRALDH1A1
SCHEMBL2377148 0.70 ENPP2 (0.52) ENPP2TTRMEN1KMT2A

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