SCHEMBL9750701

SCHEMBL9750701

CCc1c(C(=O)OC)c(=O)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR35 Q9HC97 2/20 0.43
MAPT P10636 2/20 0.43
NR4A3 Q92570 1/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 3/20 0.41
NPBWR1 P48145 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 2/20 0.40
P2RY12 Q9H244 1/20 0.40

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
SCHEMBL11115653 0.89 KMT2A (0.51) GAATSHRALDH1A1HSD17B10KDM4E
SCHEMBL122191 0.86 NR4A3 (0.51) GAATSHRALDH1A1HSD17B10KDM4E
SCHEMBL9005761 0.85 NR4A3 (0.44) GAATSHRALDH1A1HSD17B10KDM4E
SCHEMBL4411084 0.85 NR4A3 (0.50) GAATSHRALDH1A1HSD17B10KDM4E
Potassium Ion SCHEMBL3239020 0.84 NR4A3 (0.43) GAATSHRALDH1A1HSD17B10KDM4E
SCHEMBL10598773 0.78 KMT2A (0.45) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL10599000 0.77 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2MAPTNR4A3
SCHEMBL9005800 0.76 MAPT (0.51) GAATSHRALDH1A1HSD17B10MAPK1
SCHEMBL1419628 0.75 GPR35 (0.53) GAATSHRALDH1A1HSD17B10KDM4E
SCHEMBL10596793 0.75 KMT2A (0.45) GAAALDH1A1MAPK1SMN1; SMN2MAPT

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-5003068-A Pyridazinone manufacture MONSANTO COMPANY (US) 1991-03-26 US claimed
EP-0127313-B1 THE PRODUCTION OF HAPLOID SEED, OF DOUBLED HAPLOIDS AND OF HOMOZYGOUS PLANT LINES THEREFROM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1989-07-19 EP disclosed