SCHEMBL4792173

SCHEMBL4792173

Nc1nc2cccc(CCl)c2c2c1nc1n2CCOC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.34
MAPT P10636 4/20 0.34
GRM5 P41594 1/20 0.34
LMNA P02545 2/20 0.33
DCPS Q96C86 1/20 0.33
DHFR P00374 1/20 0.32
TLR7 Q9NYK1 6/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 2/20 0.30
NCF1 P14598 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
SCHEMBL2513546 0.90 LMNA (0.33) TP53MAPTGRM5LMNADCPS
SCHEMBL4794357 0.86 PIK3CB (0.33) TP53MAPTGRM5LMNADCPS
SCHEMBL4792910 0.86 TLR8 (0.37) TP53MAPTGRM5LMNADCPS
SCHEMBL1775006 0.86 MAPT (0.36) TP53MAPTGRM5LMNADHFR
SCHEMBL4791809 0.85 POLB (0.39) TP53MAPTGRM5LMNADCPS
SCHEMBL4702114 0.83 ACHE (0.38) TP53MAPTDHFRTLR7ALDH1A1
SCHEMBL1776124 0.83 GRM5 (0.36) TP53MAPTGRM5LMNADCPS
SCHEMBL4707903 0.81 TLR7 (0.37) TP53MAPTLMNADHFRTLR7
SCHEMBL2244245 0.80 DCPS (0.34) GRM5DCPSDHFRTLR7KDM4E
SCHEMBL2241078 0.80 ALDH1A1 (0.35) TP53MAPTLMNADHFRTLR7

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-1831221-A4 SUBSTITUTED CHIRAL FUSED 1,2 IMIDAZO 4,5-C RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-11-05 EP disclosed
EP-1831221-A2 SUBSTITUTED CHIRAL FUSED 1,2 IMIDAZO 4,5-C RING COMPOUNDS 3M Innovative Properties Company (US) 2007-09-12 EP disclosed
WO-2006083440-A2 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-10 WO disclosed