SCHEMBL4699819

SCHEMBL4699819

C=[N+](NC(=N)NCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 3/20 0.48
IDO1 P14902 1/20 0.48
MC1R Q01726 4/20 0.45
MC5R P33032 3/20 0.45
MC3R P41968 2/20 0.44
LMNA P02545 5/20 0.43
CYP3A4 P08684 1/20 0.42
AHR P35869 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 0.40
PKM P14618 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SSTR3 P32745 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
SCHEMBL6026754 0.85 IDO1 (0.41) KMT2AMEN1MAPTIDO1MC1R
SCHEMBL4700989 0.85 IDO1 (0.48) KMT2AMEN1IDO1MC1RMC5R
SCHEMBL4701252 0.81 NPC1 (0.49) KMT2AMEN1MAPTLMNACYP3A4
SCHEMBL4700165 0.78 MEN1 (0.45) KMT2AMEN1MAPTIDO1MC1R
SCHEMBL4698347 0.78 STING1 (0.41) KMT2AMEN1IDO1GPR84
SCHEMBL21562558 0.75 KMT2A (0.53) KMT2AMEN1MAPTIDO1MC1R
SCHEMBL4697802 0.71 MEN1 (0.53) KMT2AMEN1IDO1LMNAHTT
SCHEMBL6245322 0.70 MEN1 (0.55) KMT2AMEN1MAPTIDO1MC1R
SCHEMBL11629345 0.70 KMT2A (0.55) KMT2AMEN1MAPTIDO1MC1R
SCHEMBL6025185 0.69 MAPT (0.56) KMT2AMEN1MAPTLMNACYP3A4

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
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