SCHEMBL12367181

SCHEMBL12367181

c1ccc(-c2c3c(c(-c4ccccn4)c4ccccc24)-c2ccc(-c4ccc5c(c4)-c4cccc6cccc-5c46)c4cccc-3c24)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 7/20 0.38
MAPK1 P28482 5/20 0.38
HSD17B10 Q99714 5/20 0.38
HPGD P15428 4/20 0.38
TSHR P16473 4/20 0.38
TP53 P04637 4/20 0.38
CASP1 P29466 2/20 0.38
HIF1A Q16665 2/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
PDK2 Q15119 1/20 0.36
HTR2C P28335 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 3/20 0.35

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
SCHEMBL12367180 0.90 HPGD (0.35) TGFBR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL12367178 0.86 PDK2 (0.36) TGFBR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL12586138 0.86 HPGD (0.47) TGFBR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL762280 0.85 PDK2 (0.35) TGFBR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL13016380 0.84 KDM4E (0.42) TGFBR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL11992102 0.82 LMNA (0.42) TGFBR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL18884195 0.81 ALDH1A1 (0.42) TGFBR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL13335817 0.81 PDK2 (0.35) TGFBR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL762746 0.81 DHODH (0.38) TGFBR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL13085214 0.80 TGFBR1 (0.42) TGFBR1ALDH1A1MAPK1HSD17B10HPGD

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
US-20110198582-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-08-18 US disclosed
US-20110198582-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-08-18 US disclosed
WO-2010047403-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2010-04-29 WO disclosed