SCHEMBL7115295

SCHEMBL7115295

O=C(O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 11/20 0.44
▸ HDAC11 Q96DB2 11/20 0.44
▸ HDAC6 Q9UBN7 11/20 0.44
▸ HDAC1 Q13547 10/20 0.44
▸ HDAC2 Q92769 10/20 0.44
▸ HDAC10 Q969S8 10/20 0.44
▸ HDAC8 Q9BY41 10/20 0.44
▸ NCOR2 Q9Y618 3/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ FKBP4 Q02790 1/20 0.41
▸ PDF Q9HBH1 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ CTSC P53634 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL7761782 0.87 PDF (0.55) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL1723853 0.85 CTSC (0.53) FKBP4CTSCMEN1KMT2A
SCHEMBL1088243 0.85 NAMPT (0.44) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL8532855 0.85 KEAP1 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL5673516 0.83 HDAC3 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC2
Hydrochloric Acid SCHEMBL10380405 0.82 HDAC3 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC2
Hydrochloric Acid SCHEMBL9543019 0.82 HDAC3 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL2409615 0.80 NAMPT (0.46) NAMPTEPHX1MEN1MAPTKMT2A
SCHEMBL8520214 0.79 NAMPT (0.62) NAMPTEPHX1MEN1MAPTKMT2A
SCHEMBL621278 0.79 NAMPT (0.62) NAMPTEPHX1MEN1MAPTKMT2A

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-2003023046-A1 METHODS FOR PRODUCING COAGULATED WHEY PROTEIN NOVOZYMES BIOTECH, INC. (US) 2003-03-20 — — WO disclosed
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