SCHEMBL4700046

SCHEMBL4700046

Cc1cc(CCS(C)(=O)=O)cc2ncc3nc4n(c3c12)CCOC4

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 3/20 0.38
TP53 P04637 8/20 0.37
MAPT P10636 7/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 2/20 0.34
SYK P43405 1/20 0.33
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1775586 0.84 POLB (0.37) POLBALDH1A1LMNATP53MAPT
SCHEMBL4707430 0.77 MAPT (0.40) POLBALDH1A1LMNATP53MAPT
SCHEMBL1774554 0.68 LMNA (0.37) POLBALDH1A1LMNATP53MAPT
SCHEMBL1775861 0.67 ABL1 (0.33)
SCHEMBL12097681 0.65 POLB (0.41) POLBALDH1A1LMNATP53MAPT
SCHEMBL4707031 0.63 LMNA (0.38) POLBALDH1A1LMNATP53MAPT
SCHEMBL4705810 0.63 ALDH1A1 (0.36) POLBALDH1A1LMNATP53MAPT
SCHEMBL12097860 0.62 KDM4E (0.34) POLBALDH1A1LMNATP53MAPT
SCHEMBL4707643 0.62 POLB (0.35) POLBALDH1A1LMNATP53MAPT
SCHEMBL4710518 0.61 POLB (0.34) POLBALDH1A1LMNATP53MAPT

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-1831226-A4 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-11-05 EP disclosed
EP-1831226-A2 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-12 EP disclosed
WO-2006074003-A2 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-13 WO disclosed