SCHEMBL28793935

SCHEMBL28793935

C=C(C(=O)OC(C)(C)C)C(=O)c1ccc(-c2cccc(N(CC)C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCB1 P08183 1/20 0.34
BRD4 O60885 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
F2 P00734 2/20 0.31
PKM P14618 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CES2 O00748 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL28793939 0.88 BRD4 (0.43) ALDH1A1SMN1; SMN2ABCB1BRD4THRB
SCHEMBL1317398 0.88 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2ABCB1BRD4HDAC1
SCHEMBL28793937 0.86 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2ABCB1BRD4HDAC1
SCHEMBL27696821 0.80 ABCB1 (0.38) ALDH1A1ABCB1CES2
SCHEMBL22897818 0.78 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2THRBNPSR1
SCHEMBL27828461 0.77 CYP17A1 (0.46) SMN1; SMN2ABCB1BRD4HDAC1HDAC8
SCHEMBL27828364 0.76 BRD4 (0.35) ABCB1BRD4CES2
SCHEMBL1319017 0.74 BRD4 (0.47) ALDH1A1SMN1; SMN2ABCB1BRD4THRB
SCHEMBL28793940 0.74 BRD4 (0.41) ALDH1A1SMN1; SMN2ABCB1BRD4THRB
SCHEMBL1316270 0.73 BRD4 (0.36) ALDH1A1SMN1; SMN2BRD4HDAC1HDAC8

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
CN-102333757-A N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2012-01-25 CN disclosed