SCHEMBL11075906

SCHEMBL11075906

CCn1c(-c2ccccc2)nc2c3cc(OC)c(OC)cc3ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.50
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRIK2 Q13002 2/20 0.43
PDE10A Q9Y233 1/20 0.43
GRIK1 P39086 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL11077028 0.80 NLRP3 (0.55) NLRP3HSD17B10ALDH1A1MEN1USP2
SCHEMBL11073152 0.78 HSD17B10 (0.44) HSD17B10ALDH1A1MEN1USP2GLA
SCHEMBL11079618 0.76 GRIK2 (0.52) HSD17B10ALDH1A1MEN1TSHRKMT2A
SCHEMBL11086321 0.76 GRIK2 (0.52) HSD17B10ALDH1A1MEN1TSHRKMT2A
SCHEMBL11290683 0.76 GRIK2 (0.47) NLRP3KMT2ATDP1GRIK2GRIK1
SCHEMBL11435483 0.70 PTGER4 (0.51) NLRP3ALDH1A1MEN1KMT2ATDP1
SCHEMBL11076968 0.70 NLRP3 (0.50) NLRP3ALDH1A1MEN1KMT2AADORA3
SCHEMBL11077060 0.70 GRIK2 (0.43) HSD17B10ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL11078342 0.69 TLR8 (0.54) NLRP3HSD17B10ALDH1A1USP2TSHR
SCHEMBL11078753 0.68 TLR8 (0.44) NLRP3HSD17B10ALDH1A1MEN1USP2

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-4435417-A ANTIINFLAMMATORY AGENTS GRUPPO LEPETIT S.P.A. (IT) 1984-03-06 US disclosed
EP-0012866-A1 New 3H-naphtho(1,2-d)imidazoles, processes for preparing them, compounds for use as antiinflammatory and antimicrobial agents and compositions for that use containing them GRUPPO LEPETIT S.P.A. (IT) 1980-07-09 EP disclosed