SCHEMBL4698608

SCHEMBL4698608

NC(=Nc1ccccc1)NN=Cc1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
NOS1 P29475 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 5/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL4698450 0.80 MAPT (0.55) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL28884203 0.78 GAA (0.68) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL21538104 0.78 KMT2A (0.64) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL31105723 0.78 MAPT (0.55) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL7748696 0.78 MAPT (0.55) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL7748700 0.78 MAPT (0.55) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL7747576 0.76 MAPT (0.54) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL21519408 0.76 KMT2A (0.63) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL7747578 0.76 MAPT (0.54) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL4697181 0.76 RXFP3 (0.52) MAPTALDH1A1CYP1A2POLBCYP3A4

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