SCHEMBL12940435

SCHEMBL12940435

CC(O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 13/20 0.79
▸ PARP1 P09874 5/20 0.79
▸ TNKS2 Q9H2K2 5/20 0.79
▸ PARP2 Q9UGN5 2/20 0.79
▸ HDAC6 Q9UBN7 1/20 0.79
▸ PLA2G2A P14555 3/20 0.69
▸ PLA2G4A P47712 3/20 0.69
▸ SMN1; SMN2 Q16637 5/20 0.67
▸ RAB9A P51151 4/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ NPC1 O15118 3/20 0.67
▸ MAOB P27338 2/20 0.67
▸ BCHE P06276 1/20 0.67
▸ POLB P06746 1/20 0.67
▸ ACHE P22303 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ HPGD P15428 4/20 0.65
▸ CYP3A4 P08684 4/20 0.65
▸ GABRP O00591 2/20 0.65
▸ GABRD O14764 2/20 0.65

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
SCHEMBL2424789 0.88 TNKS (1.00) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL29369345 0.88 TNKS (1.00) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL12941166 0.83 CYP3A4 (0.74) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL12940901 0.82 GABRP (0.65) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL12941168 0.82 GABRP (0.72) TNKSPARP1TNKS2PARP2HDAC6
Flavone SCHEMBL23645524 0.82 TNKS (0.90) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL14302733 0.81 TNKS (0.64) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL38655536 0.81 FTO (0.70) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL127446 0.80 TNKS (1.00) TNKSPARP1TNKS2PARP2PLA2G2A
SCHEMBL29773081 0.80 TNKS (1.00) TNKSPARP1TNKS2PARP2PLA2G2A

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
EP-2277595-A2 Compounds for immunopotentiation Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-26 — — EP disclosed
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