SCHEMBL4698447

SCHEMBL4698447

N=C(NN=Cc1ccccc1Br)NN=Cc1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 6/20 0.45
HTT P42858 4/20 0.45
GAA P10253 4/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CTRC Q99895 1/20 0.43
DUSP3 P51452 1/20 0.43

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
SCHEMBL4698577 1.00 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL17561003 0.98 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4698394 0.89 ALDH1A1 (0.53) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL4698601 0.87 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4698606 0.87 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7748696 0.86 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7748700 0.86 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31105723 0.86 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7747578 0.84 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7747576 0.84 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP claimed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed