SCHEMBL27723770

SCHEMBL27723770

Nc1cc2ccc(C(=O)F)nc2cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 4/20 0.40
GFER P55789 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2933943 0.77 ALDH1A1 (0.47) IDO1KEAP1ALDH1A1KDM4EKMT2A
SCHEMBL27723772 0.77 DTYMK (0.42) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL12405037 0.69 MGAM (0.63) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL15133540 0.69 IDO1 (0.75) IDO1KEAP1ALDH1A1KDM4EKMT2A
SCHEMBL9220609 0.68 MGAM (0.61) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL11228991 0.67 IDO1 (0.50) IDO1KEAP1ALDH1A1KDM4EKMT2A
SCHEMBL29475880 0.66 IDO1 (1.00) IDO1KEAP1ALDH1A1KDM4EKMT2A
SCHEMBL197490 0.66 IDO1 (1.00) IDO1KEAP1ALDH1A1KDM4EKMT2A
SCHEMBL8006518 0.66 IDO1 (1.00) IDO1KEAP1ALDH1A1KDM4EKMT2A
SCHEMBL987442 0.66 IDO1 (0.62) IDO1KEAP1ALDH1A1KDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101273029-B Bicyclic bisamide derivatives and their use as pesticides SYNGENTA PARTICIPATIONS AG (CH) 2013-03-27 CN disclosed
CN-101273029-A Bicyclic bisamide derivatives and their use as pesticides SYNGENTA PARTICIPATIONS AG (CH) 2008-09-24 CN disclosed