SCHEMBL4707643

SCHEMBL4707643

CC(C)c1c(O)ccc2ncc3nc4n(c3c12)CCOC4

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 9/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
GAK O14976 1/20 0.31

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
SCHEMBL4705810 0.79 ALDH1A1 (0.36) POLBALDH1A1TP53MAPTLMNA
SCHEMBL4707430 0.73 MAPT (0.40) POLBALDH1A1TP53MAPTLMNA
SCHEMBL4707031 0.72 LMNA (0.38) POLBALDH1A1TP53MAPTLMNA
SCHEMBL4710518 0.70 POLB (0.34) POLBALDH1A1TP53MAPTLMNA
SCHEMBL4704785 0.68 POLB (0.33) POLBALDH1A1TP53MAPTLMNA
SCHEMBL4707666 0.65 GRM5 (0.40) ALDH1A1TP53MAPTLMNANPC1
SCHEMBL24089108 0.64 POLB (0.39) POLBALDH1A1TP53MAPTLMNA
SCHEMBL11721926 0.63 POLB (0.57) POLBALDH1A1TP53MAPTLMNA
SCHEMBL1775324 0.63 GRM5 (0.36) ALDH1A1TP53MAPTLMNANPC1
SCHEMBL12097681 0.63 POLB (0.41) POLBALDH1A1TP53MAPTLMNA

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