SCHEMBL4858632

SCHEMBL4858632

[Os].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.52
NOTUM Q6P988 1/20 0.50
PLAU P00749 1/20 0.48
FDPS P14324 1/20 0.46
EGFR P00533 1/20 0.46
PIM1 P11309 1/20 0.45
PIK3CA P42336 1/20 0.44
SMO Q99835 2/20 0.44
CYP19A1 P11511 1/20 0.44
TGFBR1 P36897 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
ALDH1A1 P00352 1/20 0.43
AURKA O14965 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PRKACA P17612 1/20 0.42
ADORA2A P29274 1/20 0.42

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
Hydrochloric Acid SCHEMBL4868799 0.98 ASIC3 (0.50) ASIC3NOTUMPLAUFDPSEGFR
SCHEMBL417290 0.98 ASIC3 (0.54) ASIC3NOTUMPLAUFDPSEGFR
Hydrochloric Acid SCHEMBL4868804 0.95 ASIC3 (0.52) ASIC3NOTUMPLAUFDPSEGFR
SCHEMBL2789829 0.95 ASIC3 (0.52) ASIC3NOTUMPLAUFDPSEGFR
Hydrochloric Acid SCHEMBL5171214 0.95 ASIC3 (0.52) ASIC3NOTUMPLAUFDPSEGFR
Water SCHEMBL377289 0.93 ASIC3 (0.50) ASIC3NOTUMPLAUFDPSEGFR
SCHEMBL912763 0.91 ASIC3 (0.63) ASIC3NOTUMPLAUPIM1SMO
SCHEMBL29578028 0.91 ASIC3 (0.63) ASIC3NOTUMPLAUPIM1SMO
Pyridine SCHEMBL25197533 0.89 NOTUM (0.56) ASIC3NOTUMPLAUFDPSEGFR
SCHEMBL3194223 0.89 CYP19A1 (0.53) ASIC3NOTUMPLAUFDPSEGFR

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