SCHEMBL8664992

SCHEMBL8664992

Cc1c(Cl)cccc1NC(=O)c1ncccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 3/20 0.67
DHODH Q02127 1/20 0.65
MAPT P10636 6/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
MT-CO2 P00403 1/20 0.56
LMNA P02545 1/20 0.56
TTR P02766 1/20 0.56
PLA2G1B P04054 1/20 0.56
CYP1A2 P05177 1/20 0.56
PGR P06401 1/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
AR P10275 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL8901777 0.90 ALDH1A1 (0.79) ALDH1A1KDM4EDHODHMAPTKMT2A
SCHEMBL8664634 0.86 KDM4E (0.62) ALDH1A1KDM4EDHODHMAPTKMT2A
SCHEMBL8665346 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EDHODHMAPTKMT2A
SCHEMBL8667765 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EDHODHMAPTKMT2A
SCHEMBL7825161 0.81 MAPT (0.68) ALDH1A1KDM4EDHODHMAPTKMT2A
Clonixin SCHEMBL9143637 0.79 DHODH (1.00) ALDH1A1DHODHMAPTKMT2AMEN1
Clonixin SCHEMBL30702579 0.79 DHODH (1.00) ALDH1A1DHODHMAPTKMT2AMEN1
Clonixin SCHEMBL121785 0.79 DHODH (1.00) ALDH1A1DHODHMAPTKMT2AMEN1
SCHEMBL28442197 0.78 NPC1 (0.76) ALDH1A1MAPTKMT2A
SCHEMBL31087263 0.75 KDR (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1

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
US-5843868-A Pryidine-2,3-dicarboxylic acid diamide derivatives and herbicides comprising said derivatives as active ingredient NIHON NOHYAKU CO., LTD. (JP) 1998-12-01 US disclosed
EP-0799825-A1 Pyridine-2,3-dicarboxylic acid diamide derivatives and herbicides comprising said derivatives as active ingredient NIHON NOHYAKU CO., LTD. (JP) 1997-10-08 EP disclosed