SCHEMBL4701252

SCHEMBL4701252

C=[N+](NC(=N)NCCc1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.42
IGF1R P08069 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.40
BRS3 P32247 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 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 0.83 IDO1 (0.41) KMT2AMEN1ALDH1A1MAPTCYP3A4
SCHEMBL4700989 0.83 IDO1 (0.48) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4699819 0.81 KMT2A (0.48) KMT2AMEN1MAPTTSHRKDM4E
SCHEMBL4698347 0.76 STING1 (0.41) NPC1RAB9AKMT2AMEN1
SCHEMBL4699088 0.75 MTNR1A (0.53) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL4697802 0.71 MEN1 (0.53) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4701251 0.71 RAB9A (0.55) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL4698441 0.69 SMN1; SMN2 (0.39) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL12049633 0.67 MEN1 (0.76) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL17887852 0.67 EPHX1 (0.62) NPC1RAB9AKMT2AMEN1ALDH1A1

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