SCHEMBL29955732

SCHEMBL29955732

Nc1cccc2ccc(B(O)O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PLG P00747 2/20 0.53
PRSS1 P07477 2/20 0.53
F2 P00734 1/20 0.53
PLAU P00749 1/20 0.53
PLAT P00750 1/20 0.53
KLK1 P06870 1/20 0.53
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TDP2 O95551 1/20 0.50
MAPT P10636 1/20 0.50
CASP6 P55212 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL29164290 1.00 CA1 (0.53) CA1CA2PLGPRSS1F2
SCHEMBL29957738 0.85 CA1 (0.53) CA1CA2PLGPRSS1F2
SCHEMBL31139487 0.79 CA2 (0.58) CA1CA2ALDH1A1KDM4EENPP2
SCHEMBL29956064 0.78 CA1 (0.55) CA1CA2PLAUALDH1A1KDM4E
SCHEMBL1527433 0.78 CA1 (0.65) CA1CA2ALDH1A1TDP1ENPP2
SCHEMBL29465865 0.78 CA1 (0.65) CA1CA2ALDH1A1TDP1ENPP2
SCHEMBL23581095 0.77 CA1 (0.53) CA1CA2ALDH1A1KDM4EPOLB
SCHEMBL29955720 0.77 CYP1A2 (0.57) CA1CA2ALDH1A1KDM4ETDP1
SCHEMBL5782324 0.77 CA1 (0.53) CA1CA2ALDH1A1KDM4EKMT2A
SCHEMBL28674038 0.77 CA1 (0.53) CA1CA2ALDH1A1KDM4EENPP2

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