SCHEMBL4697178

SCHEMBL4697178

N=C(NCCc1ccccc1)N/N=C/c1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 5/20 0.52
ALOX12 P18054 3/20 0.52
NPC1 O15118 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
ALPL P05186 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
SCHEMBL4697179 1.00 MEN1 (0.53) MEN1KMT2AMAPTALOX12NPC1
SCHEMBL4698447 0.81 MAPT (0.58) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL4698577 0.81 MAPT (0.58) MEN1KMT2AMAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL17561003 0.80 MAPT (0.56) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL4701251 0.77 RAB9A (0.55) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL4698606 0.76 MAPT (0.50) MEN1KMT2AMAPTNPC1NPSR1
SCHEMBL4698601 0.76 MAPT (0.50) MEN1KMT2AMAPTNPC1NPSR1
SCHEMBL4698438 0.74 LMNA (0.51) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4697181 0.74 RXFP3 (0.52) MAPTALDH1A1CYP1A2POLBCYP3A4
SCHEMBL4701009 0.73 KMT2A (0.74) MEN1KMT2AMAPTALOX12NPC1

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