SCHEMBL8370571

SCHEMBL8370571

O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AKR1B1 P15121 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL29277556 0.71 HTT (0.59) KDM4EPKMALDH1A1CYP3A4MAPK1
SCHEMBL9626097 0.71 GLP1R (0.35) MEN1KMT2A
SCHEMBL2122579 0.71 ALDH1A1 (1.00) KDM4EPKMALDH1A1CYP3A4MAPK1
SCHEMBL9313173 0.71 ALDH1A1 (1.00) KDM4EPKMALDH1A1CYP3A4MAPK1
SCHEMBL4328031 0.71 ALDH1A1 (1.00) KDM4EPKMALDH1A1CYP3A4MAPK1
SCHEMBL22742 0.71 ALDH1A1 (1.00) KDM4EPKMALDH1A1CYP3A4MAPK1
SCHEMBL7202895 0.69 ALDH1A1 (0.84) KDM4EPKMALDH1A1CYP3A4MAPK1
SCHEMBL21028305 0.69 KDM4E (1.00) KDM4EPKMALDH1A1CYP3A4MAPK1
SCHEMBL16713293 0.69 ALDH1A1 (0.94) KDM4EPKMALDH1A1CYP3A4MAPK1
SCHEMBL25777285 0.68 LMNA (0.47) KDM4EPKMALDH1A1HTTAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894791-A1 PYRIMIDINE COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDES UBE INDUSTRIES, LTD. (JP) 1999-02-03 EP disclosed