SCHEMBL9599501

SCHEMBL9599501

NC(=O)c1cccc(-c2ccnnn2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.41
CSNK1A1 P48729 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
TYRO3 Q06418 1/20 0.40
PARP1 P09874 8/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HNF4A P41235 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GRM5 P41594 1/20 0.35
CDC7 O00311 1/20 0.34
RPS6KB1 P23443 1/20 0.33
NUDT1 P36639 1/20 0.33
CXCR2 P25025 1/20 0.33

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
SCHEMBL9601633 0.87 HNF4A (0.35) HSD17B10HNF4A
SCHEMBL8523177 0.86 BCAT2 (0.53) BCAT2CSNK1A1DYRK1BTYRO3PARP1
SCHEMBL1534219 0.77 HPGD (0.39) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL29938206 0.74 RAB9A (0.45) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL2576585 0.74 RAB9A (0.45) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL18317957 0.73 ALDH1A1 (0.56) BCAT2CSNK1A1DYRK1BTYRO3PARP1
SCHEMBL9592605 0.72 PARP1 (0.50) BCAT2CSNK1A1DYRK1BTYRO3PARP1
SCHEMBL18317872 0.71 HNF4A (0.60) BCAT2PARP1KEAP1NFE2L2KDM4E
SCHEMBL1719706 0.71 AKR1C3 (0.44) ALDH1A1MAPT
SCHEMBL3423724 0.71 BCAT2 (0.42) BCAT2CSNK1A1DYRK1BTYRO3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493321-A1 Pyrimidinyl- and triazinyl-salicylamides, their use and their preparation CIBA-GEIGY AG (CH) 1992-07-01 EP claimed
JP-4321670-A None JP disclosed
US-5262386-A Herbicides and plant growth regulators, weed control and positive influence on crop plants CIBA-GEIGY CORPORATION (US) 1993-11-16 US disclosed
US-5262386-A Herbicides and plant growth regulators, weed control and positive influence on crop plants CIBA-GEIGY CORPORATION (US) 1993-11-16 US disclosed
US-5262386-A Herbicides and plant growth regulators, weed control and positive influence on crop plants CIBA-GEIGY CORPORATION (US) 1993-11-16 US disclosed
JP-H04321670-A PYRIMIDINYL-AND TRIAZINYLSALICYLAMIDES, METHOD FOR USING THEM AND THEIR PRODUCTION CIBA GEIGY AG 1992-11-11 JP disclosed
EP-0493321-A1 Pyrimidinyl- and triazinyl-salicylamides, their use and their preparation CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
EP-0493321-A1 Pyrimidinyl- and triazinyl-salicylamides, their use and their preparation CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
EP-0493321-A1 Pyrimidinyl- and triazinyl-salicylamides, their use and their preparation CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed