SCHEMBL6026754

SCHEMBL6026754

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
GPR84 Q9NQS5 2/20 0.39
ATM Q13315 2/20 0.38
NR4A2 P43354 1/20 0.37
CREBBP Q92793 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
AHR P35869 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PBRM1 Q86U86 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
IMPDH2 P12268 2/20 0.35
IMPDH1 P20839 1/20 0.35
CYP2A6 P11509 1/20 0.35
STAT3 P40763 1/20 0.35
MC5R P33032 1/20 0.35

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
SCHEMBL4698347 0.89 STING1 (0.41) IDO1GPR84NR4A2CREBBPMEN1
SCHEMBL4699819 0.85 KMT2A (0.48) IDO1GPR84MEN1KMT2ACYP3A4
SCHEMBL4701252 0.83 NPC1 (0.49) MEN1KMT2ACYP3A4MAPTTDP1
SCHEMBL4700989 0.80 IDO1 (0.48) IDO1MEN1KMT2AALDH1A1HTT
SCHEMBL4703485 0.72 IDO1 (0.45) IDO1GPR84ATMMEN1KMT2A
SCHEMBL1849779 0.65 NPC1 (0.51) GPR84ATMMEN1KMT2ACYP3A4
SCHEMBL15689981 0.65 HPGD (0.46) GPR84ATMMEN1KMT2ACYP3A4
SCHEMBL9011712 0.64 STING1 (0.49) GPR84ATMNR4A2CREBBPMEN1
SCHEMBL22234314 0.62 STING1 (0.48) IDO1GPR84ATMMAPTALDH1A1
SCHEMBL1007651 0.62 GPR84 (0.56) GPR84ATMNR4A2CREBBPMEN1

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 2 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
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed