SCHEMBL2785366

SCHEMBL2785366

CCC(NC(=O)NCc1ccc(N(C)C)cc1)C(=O)NOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.52
▸ ATM Q13315 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ANPEP P15144 4/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NOX1 Q9Y5S8 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 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
SCHEMBL1364077 0.75 HDAC1 (0.61) ALDH1A1EPHX2MAPT
SCHEMBL6407136 0.72 F7 (0.64) F7ATML3MBTL1ANPEPKLKB1
SCHEMBL5158191 0.72 F7 (0.55) F7ALDH1A1EPHX2MAPTKMT2A
SCHEMBL5158199 0.72 F7 (0.55) F7ALDH1A1EPHX2MAPTKMT2A
SCHEMBL27537790 0.72 NPC1 (0.59) L3MBTL1ALDH1A1EPHX2MAPT
SCHEMBL14575948 0.71 PPIB (0.62) ATML3MBTL1ANPEPKLKB1ALDH1A1
SCHEMBL14576521 0.71 PPID (0.53) ATMANPEPKMT2APOLB
SCHEMBL8550262 0.70 NPC1 (0.53) ALDH1A1EPHX2
SCHEMBL5160205 0.68 F7 (0.59) F7ANPEPKLKB1ALDH1A1KMT2A
SCHEMBL1365408 0.68 HDAC1 (0.58) ALDH1A1EPHX2MAPTKMT2ANOX1

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-2258677-A2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2010-12-08 — — EP disclosed
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