SCHEMBL29951595

SCHEMBL29951595

O=Cc1c(Br)csc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ERN1 O75460 4/20 0.31
CYP2A6 P11509 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL29952161 0.78 MEN1 (0.35) ERN1
SCHEMBL845035 0.70
SCHEMBL27972246 0.69 ERN1 (0.31) ERN1CYP2A6PRKDC
SCHEMBL29954071 0.67 ERN1 (0.31) KDM4EERN1CYP2A6
SCHEMBL31614953 0.61 ERN1 (0.41) KDM4EERN1CYP2A6PRKDC
SCHEMBL28576204 0.61 ERN1 (0.41) KDM4EERN1CYP2A6PRKDC
SCHEMBL31035096 0.60 ERN1 (0.40) KDM4EERN1PRKDC
SCHEMBL7005086 0.60 LMNA (0.37) ERN1PRKDC
SCHEMBL8831 0.60 KDM4E (0.40) KDM4ECYP2A6
SCHEMBL910699 0.59

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