SCHEMBL29956885

SCHEMBL29956885

O=Cc1c(C2CC2)[nH]c2c(Cl)c(Cl)ccc12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
AR P10275 1/20 0.31
NR3C1 P04150 1/20 0.30
PARP14 Q460N5 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
SCHEMBL29955937 0.94 AR (0.32) MEN1ALDH1A1KMT2ATDP1CSNK2A2
SCHEMBL29953581 0.85 GPR17 (0.36) MEN1ALDH1A1KMT2ATDP1
SCHEMBL29955079 0.82 MEN1 (0.43) MEN1ALDH1A1KMT2ATDP1NR3C1
SCHEMBL29951787 0.80 GPR17 (0.34)
SCHEMBL29956527 0.78 HTT (0.35) MEN1ALDH1A1KMT2ATDP1
SCHEMBL29954118 0.77 CHUK (0.35) MEN1ALDH1A1KMT2ATDP1AR
SCHEMBL29956616 0.77 MEN1 (0.41) MEN1ALDH1A1KMT2ATDP1
SCHEMBL29952259 0.76 STING1 (0.36) ALDH1A1
SCHEMBL29955949 0.76 NOS2 (0.36)
SCHEMBL29956872 0.75 HTT (0.33) MEN1ALDH1A1KMT2ATDP1

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