SCHEMBL9768818

SCHEMBL9768818

O=C(O)c1cc(Cl)c2c(Cl)cccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
MGAM O43451 1/20 0.46
ALOX15 P16050 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45
ACMSD Q8TDX5 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
GPR35 Q9HC97 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PARP1 P09874 1/20 0.42
CLK1 P49759 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42

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
SCHEMBL11668909 0.88 ALDH1A1 (0.47) DHODHMGAMALOX15KDM4ETSHR
SCHEMBL7524860 0.88 KDM4E (0.44) DHODHMGAMALOX15KDM4ETSHR
SCHEMBL9441962 0.87 DHODH (0.43) DHODHMGAMALOX15KDM4ETSHR
SCHEMBL2775988 0.80 ALOX15 (0.58) MGAMALOX15KDM4EALDH1A1HSD17B10
SCHEMBL9379821 0.80 KMT2A (0.48) ALOX15KDM4ETSHRTDP1ALDH1A1
SCHEMBL6197830 0.76 MGAM (0.56) MGAMALOX15KDM4ETSHRACMSD
SCHEMBL11668642 0.76 ALDH1A1 (0.49) DHODHKDM4ETSHRALDH1A1HSD17B10
SCHEMBL2908140 0.75 KDM4E (0.46) MGAMALOX15KDM4ETSHRACMSD
SCHEMBL29145497 0.74 DHODH (0.46) DHODHALOX15KDM4ETSHRALDH1A1
SCHEMBL9398456 0.73 GRM2 (0.46) DHODHPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP claimed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO claimed
US-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 US disclosed
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US disclosed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP disclosed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO disclosed