SCHEMBL2661681

SCHEMBL2661681

NC(=O)c1cc(Oc2ccccc2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 4/20 0.58
▸ IKBKB O14920 1/20 0.57
▸ SIRT2 Q8IXJ6 1/20 0.56
▸ SIRT1 Q96EB6 1/20 0.56
▸ CTNNB1 P35222 1/20 0.54
▸ HDAC3 O15379 3/20 0.52
▸ BRAF P15056 3/20 0.52
▸ HDAC4 P56524 3/20 0.52
▸ HDAC1 Q13547 3/20 0.52
▸ HDAC7 Q8WUI4 3/20 0.52
▸ HDAC2 Q92769 3/20 0.52
▸ HDAC10 Q969S8 3/20 0.52
▸ HDAC11 Q96DB2 3/20 0.52
▸ HDAC8 Q9BY41 3/20 0.52
▸ HDAC6 Q9UBN7 3/20 0.52
▸ HDAC9 Q9UKV0 3/20 0.52
▸ HDAC5 Q9UQL6 3/20 0.52
▸ PARP15 Q460N3 3/20 0.51
▸ PARP14 Q460N5 2/20 0.51
▸ TNKS O95271 1/20 0.51

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
SCHEMBL31151866 0.91 NR4A1 (0.52) PARP10IKBKBSIRT2SIRT1HDAC3
SCHEMBL25328315 0.91 NR4A1 (0.52) PARP10IKBKBSIRT2SIRT1HDAC3
SCHEMBL28250577 0.89 HDAC3 (0.55) PARP10SIRT2SIRT1HDAC3BRAF
SCHEMBL2949574 0.88 PARP10 (0.59) PARP10IKBKBSIRT2SIRT1HDAC3
SCHEMBL5078313 0.88 POLB (0.57) PARP10SIRT2SIRT1HDAC3BRAF
SCHEMBL7764582 0.87 MAOB (0.53) PARP10IKBKBSIRT2SIRT1HDAC3
SCHEMBL27491890 0.86 PARP10 (0.58) PARP10IKBKBSIRT2SIRT1CTNNB1
SCHEMBL7698386 0.86 PARP10 (0.61) PARP10SIRT2SIRT1CTNNB1PARP15
SCHEMBL2723179 0.82 ALDH1A1 (0.57) PARP10SIRT2SIRT1HDAC3BRAF
SCHEMBL1554060 0.82 KMT2A (0.59) PARP10HDAC3BRAFHDAC4HDAC1

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-1496052-A1 NOVEL AMINOBENZAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-12 — — EP disclosed
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