SCHEMBL28793937

SCHEMBL28793937

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCB1 P08183 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BRD4 O60885 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL1317398 0.89 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2ABCB1TRPM8MEN1
SCHEMBL28793940 0.88 BRD4 (0.41) ALDH1A1SMN1; SMN2ABCB1MEN1MAPT
SCHEMBL28793935 0.86 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2ABCB1TRPM8NPSR1
SCHEMBL27989386 0.78 CYP17A1 (0.44) SMN1; SMN2ABCB1MEN1MAPTKMT2A
SCHEMBL27696823 0.78 ABCB1 (0.38) ALDH1A1ABCB1MAPTHPGD
SCHEMBL27828367 0.77 BRD4 (0.33) ABCB1MEN1MAPTKMT2ABRD4
SCHEMBL1319017 0.76 BRD4 (0.47) ALDH1A1SMN1; SMN2ABCB1MEN1MAPT
SCHEMBL22897818 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL28793939 0.74 BRD4 (0.43) ALDH1A1SMN1; SMN2ABCB1MEN1MAPT
SCHEMBL1316270 0.73 BRD4 (0.36) ALDH1A1SMN1; SMN2MEN1MAPTHPGD

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