SCHEMBL29956527

SCHEMBL29956527

O=Cc1c(C2CC2)[nH]c2c(Cl)ccc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
PTK2B Q14289 1/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL29956872 0.92 HTT (0.33) HTTPTK2BMEN1ALDH1A1KMT2A
SCHEMBL29956885 0.78 MEN1 (0.32) MEN1ALDH1A1KMT2ATDP1
SCHEMBL29955079 0.78 MEN1 (0.43) MEN1ALDH1A1KMT2ATDP1
SCHEMBL29953581 0.76 GPR17 (0.36) MEN1ALDH1A1KMT2ATDP1
SCHEMBL29951055 0.74
SCHEMBL29955666 0.74 KDM4E (0.41) MEN1KMT2A
SCHEMBL29954118 0.73 CHUK (0.35) MEN1ALDH1A1KMT2ATDP1
SCHEMBL29956616 0.73 MEN1 (0.41) MEN1ALDH1A1KMT2ATDP1
SCHEMBL29955937 0.73 AR (0.32) MEN1ALDH1A1KMT2ATDP1
SCHEMBL29956609 0.72 MEN1 (0.40) MEN1KMT2ATDP1

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