SCHEMBL29951656

SCHEMBL29951656

N#CCc1cc(B(O)O)cs1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.44
CYP2A6 P11509 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
SCHEMBL9303 0.75 ENPP2 (0.38) ENPP2
SCHEMBL28348831 0.74 DAO (0.47)
SCHEMBL14492465 0.73 PRMT6 (0.34) CYP2A6
SCHEMBL1763358 0.71
SCHEMBL3670247 0.71 KDM4E (0.35) ENPP2CYP2A6
SCHEMBL4181984 0.71 ADRA1D (0.32) ENPP2CYP2A6
SCHEMBL28530298 0.70 ENPP2 (0.46) ENPP2
SCHEMBL10836151 0.69
SCHEMBL27294907 0.69
SCHEMBL29953475 0.69 ENPP2 (0.40) ENPP2

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