SCHEMBL4586845

SCHEMBL4586845

CC(CN)Cc1nc2ccccc2c2[nH]c(CON)nc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.36
TLR7 Q9NYK1 5/20 0.36
RAB9A P51151 2/20 0.33
DPP4 P27487 3/20 0.33
ELANE P08246 2/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6737901 0.74 ELANE (0.40) TLR8TLR7DPP4ELANE
SCHEMBL5509029 0.70 TLR8 (0.33) TLR8TLR7
SCHEMBL5510125 0.70 ELANE (0.39) DPP4ELANE
SCHEMBL18268482 0.68 TLR7 (0.41) TLR8TLR7RAB9AADORA3ADORA2A
SCHEMBL4763415 0.66 TLR7 (0.49) TLR8TLR7
Hydrochloric Acid SCHEMBL10970517 0.64 MAOB (0.50) RAB9ANPC1SMN1; SMN2
SCHEMBL8575152 0.64 JAK2 (0.41) TLR8TLR7ADORA3
SCHEMBL5032885 0.64 ELANE (0.43) TLR8TLR7DPP4ELANEADORA2A
SCHEMBL4586839 0.64 TLR7 (0.38) TLR8TLR7ADORA3ADORA2AADORA2B
SCHEMBL4065218 0.64 ADORA1 (0.36) TLR7ADORA3ADORA2AADORA2BADORA1

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
EP-1685129-A4 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-22 EP disclosed
EP-1685129-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-08-02 EP disclosed
WO-2005048933-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO disclosed