SCHEMBL6328370

SCHEMBL6328370

COc1ccc(-c2noc(CNCCCNc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 7/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL6324564 0.90 ALDH1A1 (0.49) KMT2AMAPTHDAC1HDAC8ALDH1A1
SCHEMBL5072062 0.88 MAPT (0.44) KMT2AMAPTHPGDGAAALDH1A1
SCHEMBL6333150 0.86 TP53 (0.50) MAPTHDAC1HPGDGAAALDH1A1
SCHEMBL6328207 0.84 GAA (0.53) KMT2AMAPTHDAC1HPGDGAA
SCHEMBL6328474 0.83 GAA (0.57) MAPTHPGDGAAALDH1A1TP53
SCHEMBL6332336 0.82 GAA (0.53) KMT2AMAPTHDAC1HPGDGAA
SCHEMBL6323935 0.81 MAPT (0.52) MAPTHDAC1HPGDGAAALDH1A1
SCHEMBL6323563 0.81 TSHR (0.57) KMT2AMAPTHPGDGAAALDH1A1
SCHEMBL6326079 0.80 HCAR2 (0.41) KMT2AMAPTHDAC1HDAC8GAA
SCHEMBL6323802 0.77 HPGD (0.52) KMT2AMAPTHPGDGAAALDH1A1

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 — — US disclosed
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