SCHEMBL1065952

SCHEMBL1065952

O=C(O)c1ccc2c(c1)ncn2CI

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.56
FGFR1 P11362 2/20 0.56
HPGD P15428 3/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.50
PLA2G4A P47712 1/20 0.47
F10 P00742 1/20 0.47
TBXA2R P21731 1/20 0.47
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2996553 0.84 HCAR3 (0.60) HCAR3FGFR1HPGDHSD17B10GAA
SCHEMBL31159882 0.84 HCAR3 (0.56) HCAR3FGFR1HPGDHSD17B10GAA
SCHEMBL31183038 0.83 HCAR3 (0.55) HCAR3FGFR1HPGDHSD17B10GAA
SCHEMBL30138443 0.82 HCAR3 (0.58) HCAR3FGFR1HPGDHSD17B10ALDH1A1
SCHEMBL3816420 0.82 HCAR3 (0.54) HCAR3FGFR1HPGDHSD17B10GAA
SCHEMBL3436680 0.82 HCAR3 (0.58) HCAR3FGFR1HPGDHSD17B10ALDH1A1
SCHEMBL1307081 0.81 HCAR3 (0.50) HCAR3FGFR1HPGDHSD17B10GAA
SCHEMBL6844860 0.81 HCAR3 (0.52) HCAR3FGFR1HPGDHSD17B10GAA
SCHEMBL3616090 0.81 FGFR1 (0.52) HCAR3FGFR1HPGDHSD17B10GAA
SCHEMBL30930540 0.80 HPGD (0.68) HCAR3FGFR1HPGDHSD17B10GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed