SCHEMBL7748853

SCHEMBL7748853

COc1c(C=NNC(=N)N)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
MAPT P10636 9/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 6/20 0.43
HTT P42858 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALOX12 P18054 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 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
SCHEMBL7748850 1.00 MEN1 (0.43) MEN1KMT2AMAPTGAALMNA
Hydrochloric Acid SCHEMBL916147 0.99 MEN1 (0.43) MEN1KMT2AMAPTGAALMNA
Hydrochloric Acid SCHEMBL916146 0.99 MEN1 (0.43) MEN1KMT2AMAPTGAALMNA
SCHEMBL7748799 0.87 MAPT (0.46) MEN1KMT2AMAPTGAALMNA
SCHEMBL7748800 0.87 MAPT (0.46) MEN1KMT2AMAPTGAALMNA
SCHEMBL14806620 0.83 KMT2A (0.56) MEN1KMT2AMAPTGAALMNA
SCHEMBL14806619 0.83 KMT2A (0.56) MEN1KMT2AMAPTGAALMNA
Hydrochloric Acid SCHEMBL914903 0.82 MEN1 (0.55) MEN1KMT2AMAPTGAALMNA
Hydrochloric Acid SCHEMBL914902 0.82 MEN1 (0.55) MEN1KMT2AMAPTGAALMNA
SCHEMBL13673502 0.78 MAPT (0.51) MEN1KMT2AMAPTGAALMNA

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
US-8410174-B2 Method for treating arthritis ANAMAR AB (SE) 2013-04-02 US disclosed
US-8309609-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-11-13 US disclosed