SCHEMBL7750327

SCHEMBL7750327

N=C(N)NN=Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL7750322 1.00 PLK1 (0.41) PLK1KDM4EPOLBALDH1A1MEN1
Acetic Acid SCHEMBL917018 0.91 PLK1 (0.41) PLK1KDM4EPOLBALDH1A1MEN1
Acetic Acid SCHEMBL917020 0.91 PLK1 (0.41) PLK1KDM4EPOLBALDH1A1MEN1
SCHEMBL19449722 0.85 PLK1 (0.43) PLK1KDM4EPOLBALDH1A1MEN1
SCHEMBL18131646 0.84 POLB (0.40) KDM4EPOLBMEN1LMNAMAPT
SCHEMBL18130862 0.84 POLB (0.40) KDM4EPOLBMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL17560860 0.83 PLK1 (0.42) PLK1KDM4EPOLBALDH1A1MEN1
SCHEMBL7748673 0.83 GRIN2D (0.55) KDM4EPOLBALDH1A1LMNAMAPT
SCHEMBL7748676 0.83 GRIN2D (0.55) KDM4EPOLBALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5703045 0.82 GRIN2D (0.56) KDM4EPOLBALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO claimed
CN-107709291-B Inhibitors and uses thereof 医疗研究局 2021-03-12 CN disclosed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO disclosed