SCHEMBL7743098

SCHEMBL7743098

COc1c(C)cc(C=NNC(=N)N)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 1/20 0.43
POLB P06746 3/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 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
SCHEMBL7743094 1.00 MAPT (0.47) MAPTSMN1; SMN2HPGDPOLBKMT2A
Acetic Acid SCHEMBL915038 0.94 MAPT (0.48) MAPTSMN1; SMN2HPGDPOLBKMT2A
Acetic Acid SCHEMBL915039 0.94 MAPT (0.48) MAPTSMN1; SMN2HPGDPOLBKMT2A
SCHEMBL17044485 0.86 SMN1; SMN2 (0.58) MAPTSMN1; SMN2HPGDPOLBKMT2A
SCHEMBL17044486 0.86 SMN1; SMN2 (0.58) MAPTSMN1; SMN2HPGDPOLBKMT2A
Hydrochloric Acid SCHEMBL5703185 0.85 SMN1; SMN2 (0.57) MAPTSMN1; SMN2HPGDPOLBKMT2A
Hydrochloric Acid SCHEMBL5703189 0.85 SMN1; SMN2 (0.57) MAPTSMN1; SMN2HPGDPOLBKMT2A
SCHEMBL915041 0.83 MAPT (0.45) MAPTSMN1; SMN2HPGDPOLBKMT2A
SCHEMBL7743087 0.79 PARP1 (0.48) MAPTSMN1; SMN2HPGDKMT2ALMNA
SCHEMBL7743089 0.79 PARP1 (0.48) MAPTSMN1; SMN2HPGDKMT2ALMNA

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