SCHEMBL4698347

SCHEMBL4698347

C=[N+](NC(=N)Nc1c[nH]c2ccccc12)c1c[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 13/20 0.41
IDO1 P14902 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NR4A2 P43354 1/20 0.33
CREBBP Q92793 1/20 0.33

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 0.89 IDO1 (0.41) IDO1GPR84MEN1KMT2ANR4A2
SCHEMBL4699819 0.78 KMT2A (0.48) IDO1GPR84MEN1KMT2A
SCHEMBL4701252 0.76 NPC1 (0.49) MEN1NPC1RAB9AKMT2A
SCHEMBL22234314 0.75 STING1 (0.48) STING1IDO1GPR84
SCHEMBL4700989 0.73 IDO1 (0.48) IDO1MEN1NPC1RAB9AKMT2A
SCHEMBL8065238 0.71 STING1 (0.50) STING1IDO1GPR84MEN1KMT2A
Iodide SCHEMBL9093454 0.70 STING1 (0.49) STING1IDO1GPR84NR4A2CREBBP
SCHEMBL384965 0.70 STING1 (0.63) STING1GPR84MEN1NPC1RAB9A
SCHEMBL9011712 0.69 STING1 (0.49) STING1GPR84MEN1KMT2ANR4A2
SCHEMBL4506896 0.68 STING1 (0.50) STING1GPR84

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