SCHEMBL7747072

SCHEMBL7747072

COc1c(Cl)cc(/C=N/NC(=N)N)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MAOA P21397 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MMP9 P14780 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7747074 1.00 POLB (0.53) POLBHTTSMN1; SMN2HPGDLMNA
Acetic Acid SCHEMBL916506 0.93 POLB (0.48) POLBHTTSMN1; SMN2HPGDLMNA
Acetic Acid SCHEMBL916504 0.93 POLB (0.48) POLBHTTSMN1; SMN2HPGDLMNA
SCHEMBL5571385 0.85 POLB (0.53) POLBHTTSMN1; SMN2HPGDLMNA
SCHEMBL5571382 0.85 POLB (0.53) POLBHTTSMN1; SMN2HPGDLMNA
SCHEMBL7743096 0.83 HPGD (0.68) POLBHTTSMN1; SMN2HPGDLMNA
SCHEMBL7743100 0.83 HPGD (0.68) POLBHTTSMN1; SMN2HPGDLMNA
SCHEMBL18131646 0.82 POLB (0.40) POLBHTTSMN1; SMN2LMNAKMT2A
SCHEMBL18130862 0.82 POLB (0.40) POLBHTTSMN1; SMN2LMNAKMT2A
Hydrochloric Acid SCHEMBL6515894 0.82 HPGD (0.66) POLBHTTSMN1; SMN2HPGDLMNA

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
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
US-8309609-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-11-13 US disclosed