SCHEMBL4698450

SCHEMBL4698450

NC(=NN=Cc1ccccc1Br)NN=Cc1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
KMT2A Q03164 4/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.54
CHIA Q9BZP6 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MAOB P27338 1/20 0.45
GAA P10253 3/20 0.44
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN2D O15399 3/20 0.42
GRIN3B O60391 3/20 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
SCHEMBL4698396 0.89 GRIN2D (0.58) MAPTKMT2ARAB9AMEN1ALDH1A1
SCHEMBL4698608 0.80 MAPT (0.54) MAPTKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL4699427 0.79 GRIN2D (0.68) MAPTKMT2ARAB9AMEN1CHIA
SCHEMBL7748696 0.79 MAPT (0.55) MAPTKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL31105723 0.79 MAPT (0.55) MAPTKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL21538104 0.79 KMT2A (0.64) MAPTKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL7748700 0.79 MAPT (0.55) MAPTKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL28884203 0.79 GAA (0.68) MAPTKMT2ARAB9AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL7747578 0.78 MAPT (0.54) MAPTKMT2ARAB9AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL21519408 0.78 KMT2A (0.63) MAPTKMT2ARAB9AMEN1SMN1; SMN2

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