SCHEMBL15775643

SCHEMBL15775643

Cc1ccc(-c2cc3c([N+](=O)[O-])cccc3c(=O)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.46
▸ TNKS O95271 2/20 0.46
▸ PARP1 P09874 2/20 0.46
▸ TNKS2 Q9H2K2 2/20 0.46
▸ PARP2 Q9UGN5 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAOA P21397 1/20 0.44
▸ KLK3 P07288 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ CSNK2A2 P19784 2/20 0.42
▸ CSNK2B P67870 2/20 0.42
▸ CSNK2A1 P68400 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL15775344 0.87 MAOA (0.57) TNKSPARP1TNKS2PARP2TDP1
SCHEMBL15775390 0.86 TNKS (0.46) TNKSPARP1TNKS2PARP2TDP1
SCHEMBL15775345 0.86 ALDH1A1 (0.59) MAOBTNKSTDP1MEN1KMT2A
SCHEMBL5067323 0.73 TDP1 (0.49) MAOBTDP1MEN1KMT2AKLK3
SCHEMBL15775461 0.73 PARP1 (0.63) TNKSPARP1TNKS2TDP1MAPT
SCHEMBL28278178 0.72 PTGES (0.75) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL5311674 0.69 GABRP (0.56) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL8678891 0.69 PTGES (0.60) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL15775177 0.68 MAPT (0.56) TDP1MEN1KMT2AKLK3MAPT
SCHEMBL28276841 0.68 PTGES (0.67) TNKSPARP1TNKS2PARP2TDP1

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
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 — — WO disclosed
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