SCHEMBL29952161

SCHEMBL29952161

O=Cc1c(Cl)csc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ERN1 O75460 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
SCHEMBL29951595 0.78 KDM4E (0.34) ERN1
SCHEMBL27282111 0.70 MEN1 (0.41) MEN1ALDH1A1KMT2ATDP1
SCHEMBL482135 0.64 CYP2A6 (0.39) MEN1KMT2ATDP1ERN1
SCHEMBL15274405 0.64 TDP1 (0.39) MEN1ALDH1A1KMT2ATDP1
SCHEMBL1984475 0.60 ALDH1A1 (0.61) MEN1ALDH1A1KMT2ATDP1
SCHEMBL2183638 0.60
SCHEMBL8831 0.58 KDM4E (0.40)
SCHEMBL11111158 0.58
SCHEMBL26773911 0.58 ALDH1A1 (0.38) MEN1ALDH1A1KMT2ATDP1
SCHEMBL30600426 0.57 ALDH1A1 (0.68) MEN1ALDH1A1KMT2ATDP1ERN1

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