SCHEMBL4867555

SCHEMBL4867555

Nc1cccc(-c2cccc(N)c2-c2cccc3ccc4cc5ccccc5cc4c23)c1-c1cccc2ccc3cc4ccccc4cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.42
ALDH1A1 P00352 12/20 0.41
HSD17B10 Q99714 8/20 0.41
HPGD P15428 5/20 0.41
TSHR P16473 4/20 0.41
HIF1A Q16665 4/20 0.41
CASP1 P29466 3/20 0.41
MAPK1 P28482 3/20 0.41
CASP7 P55210 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 2/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
PTPRC P08575 1/20 0.41
GAA P10253 4/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL28774117 0.84 ALDH1A1 (0.55) CES1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL29635317 0.82 CYP1A2 (0.48) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL30447310 0.82 CYP1A2 (0.48) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL4916335 0.82 CYP1A2 (0.48) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL11701192 0.82 ALDH1A1 (0.60) CES1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL23928805 0.81 CYP1A2 (0.48) CES1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL364084 0.79 CES1 (0.49) CES1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL30332669 0.79 CES1 (0.45) CES1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL4651697 0.78 ALDH1A1 (0.49) CES1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL14322660 0.78 ALDH1A1 (0.56) CES1ALDH1A1HSD17B10HPGDTSHR

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-7416791-B1 Osmium complexes and related organic light-emitting devices UNIVERSITY OF WASHINGTON (US) 2008-08-26 US disclosed