SCHEMBL4707430

SCHEMBL4707430

Cc1cc(O)cc2ncc3nc4n(c3c12)CCOC4

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 2/20 0.40
TP53 P04637 8/20 0.38
POLB P06746 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33

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
SCHEMBL4700046 0.77 POLB (0.40) MAPTLMNAHSD17B10USP2TP53
SCHEMBL4707643 0.73 POLB (0.35) MAPTLMNAHSD17B10USP2TP53
SCHEMBL4705810 0.70 ALDH1A1 (0.36) MAPTLMNAHSD17B10TP53POLB
SCHEMBL4707031 0.70 LMNA (0.38) MAPTLMNAHSD17B10TP53POLB
SCHEMBL4710518 0.68 POLB (0.34) MAPTLMNAUSP2TP53POLB
SCHEMBL11725558 0.67 POLB (0.53) MAPTLMNAHSD17B10USP2TP53
SCHEMBL12097860 0.66 KDM4E (0.34) MAPTLMNAHSD17B10USP2TP53
SCHEMBL4704785 0.65 POLB (0.33) MAPTLMNAHSD17B10USP2TP53
SCHEMBL3436199 0.65 POLB (0.61) MAPTLMNAHSD17B10USP2TP53
SCHEMBL12097681 0.65 POLB (0.41) MAPTLMNATP53POLBALDH1A1

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