SCHEMBL29763588

SCHEMBL29763588

Oc1ccc(C2C=Cc3cccnc3N2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 4/20 0.34
RIPK1 Q13546 2/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
AR P10275 1/20 0.30
IDE P14735 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 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
SCHEMBL4287850 0.74 KMT2A (0.41) MEN1KMT2AGAAARIDE
SCHEMBL24735437 0.74 GSK3B (0.33) TNKS2
SCHEMBL19142929 0.70 GSK3B (0.40) TNKS2
SCHEMBL31445919 0.69 TNKS2 (0.35) TNKS2KMT2AALDH1A1
SCHEMBL4554798 0.69 TNKS2 (0.35) TNKS2KMT2AALDH1A1
SCHEMBL30317863 0.69 SLC40A1 (0.35) TNKS2
SCHEMBL31691814 0.68 PARP1 (0.33) TNKS2
SCHEMBL25175695 0.68 PARP1 (0.33) TNKS2
SCHEMBL28616267 0.67 GSK3B (0.31) TNKS2
SCHEMBL20038768 0.65 GSK3B (0.31)

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
CN-112705054-B Hollow fiber membrane, preparation method thereof and dialyzer 健帆生物科技集团股份有限公司 2022-06-24 CN disclosed