SCHEMBL29953848

SCHEMBL29953848

COc1cncc(B(O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ENPP2 Q13822 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
SCHEMBL12603204 1.00 CYP11B2 (0.36) CYP11B2CYP11B1KDM4EALDH1A1CA1
SCHEMBL1985072 0.94 CYP11B2 (0.33) CYP11B2CYP11B1
SCHEMBL24369411 0.79 AOC3 (0.35)
SCHEMBL3063023 0.77 CYP11B2 (0.41) CYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL29956209 0.75
SCHEMBL29950709 0.75 F2RL3 (0.30)
SCHEMBL29956532 0.71 CYP11B1 (0.31) CYP11B2CYP11B1
SCHEMBL8662103 0.71
SCHEMBL200689 0.71 ENPP2 (0.38) KDM4EALDH1A1CA1CA2ENPP2
SCHEMBL24370293 0.71 L3MBTL1 (0.40) KDM4EALDH1A1

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