SCHEMBL12912945

SCHEMBL12912945

c1ccc(-c2c[nH]c(-c3ccc(-c4scc(-c5ccccc5)c4-c4ccccc4)o3)c2-c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.33
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
MAPK1 P28482 1/20 0.31
PARP1 P09874 1/20 0.30
PDPK1 O15530 1/20 0.30
LMNA P02545 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
SCHEMBL12912925 0.85 ALDH1A1 (0.39) IMPDH2HSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL12912897 0.85 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL12912933 0.79 IMPDH2 (0.38) IMPDH2ALDH1A1PARP1PDPK1LMNA
SCHEMBL12912936 0.78 PARP1 (0.38) IMPDH2HSD17B10ALDH1A1CYP1A2MAPK1
SCHEMBL12912955 0.76 NPC1 (0.32) IMPDH2ALDH1A1
SCHEMBL12912938 0.76 CYP2A6 (0.35) IMPDH2CYP1A2PARP1PDPK1LMNA
SCHEMBL12912964 0.75 PDPK1 (0.35) IMPDH2MAPK1PDPK1LMNA
SCHEMBL12912944 0.74 DYRK1A (0.36) IMPDH2PDPK1LMNA
SCHEMBL12912934 0.74 MAPK8 (0.36) IMPDH2ALDH1A1
SCHEMBL12912939 0.72 CHEK1 (0.32) IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871714-B2 Polymer, electroluminescent device, and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-01-18 US disclosed
US-7871714-B2 Polymer, electroluminescent device, and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-01-18 US disclosed
US-20090102374-A1 POLYMER, ELECTROLUMINESCENT DEVICE, AND LIGHT EMITTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-04-23 US disclosed
US-20090102374-A1 POLYMER, ELECTROLUMINESCENT DEVICE, AND LIGHT EMITTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-04-23 US disclosed