SCHEMBL17513346

SCHEMBL17513346

NC(C=O)(Cc1ccc(Cl)cc1Cl)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 2/20 0.40
▸ FABP5 Q01469 2/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ P2RX7 Q99572 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ GGPS1 O95749 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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
SCHEMBL29663619 0.85 FABP5 (0.44) FABP7FABP5KMT2AP2RX7EPHX2
SCHEMBL17513203 0.79 FABP5 (0.39) FABP7FABP5KMT2AP2RX7EPHX2
SCHEMBL17513345 0.74 CASP3 (0.48) FABP7FABP5KMT2AEPHX2TP53
SCHEMBL19378090 0.74 CASP3 (0.48) FABP7FABP5KMT2AEPHX2TP53
SCHEMBL16634841 0.71 SMN1; SMN2 (0.46) FABP7FABP5KMT2AEPHX2CYP1A2
SCHEMBL29928500 0.71 MDM4 (0.51) KMT2AEPHX2TP53
SCHEMBL30532481 0.71 MDM4 (0.51) KMT2AEPHX2TP53
SCHEMBL29872206 0.71 MDM4 (0.51) KMT2AEPHX2TP53
SCHEMBL29907877 0.71 MDM4 (0.51) KMT2AEPHX2TP53
SCHEMBL120613 0.71 MDM4 (0.51) KMT2AEPHX2TP53

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-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 — — WO claimed
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