SCHEMBL16622229

SCHEMBL16622229

Cc1cc(F)ccc1-c1nc(C)c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)nc1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.38
MAPK14 Q16539 6/20 0.37
S1PR1 P21453 1/20 0.32
DHODH Q02127 3/20 0.32
PGR P06401 2/20 0.32
MAPK10 P53779 1/20 0.32
MAPT P10636 1/20 0.31
DHFR P00374 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL15256078 0.90 PDK2 (0.38) PDK2MAPK14S1PR1DHODHPGR
SCHEMBL16622244 0.86 PDK2 (0.40) PDK2MAPT
SCHEMBL13212326 0.83 PDK2 (0.37) PDK2MAPK14PGRMAPTNR3C1
SCHEMBL16622235 0.83 PDK2 (0.37) PDK2MAPK14PGRNR3C1
SCHEMBL16622236 0.83 MAPK14 (0.46) MAPK14MAPK10
SCHEMBL14317985 0.82 DHODH (0.42) MAPK14DHODHMAPK10MAPT
SCHEMBL15256065 0.80 DHODH (0.39) MAPK14DHODHMAPT
SCHEMBL15256077 0.77 MAPK14 (0.42) MAPK14S1PR1DHODHDHFRALKBH5
SCHEMBL19655087 0.76 CYP1A2 (0.44) PDK2MAPT
SCHEMBL13072021 0.75 ADORA1 (0.42) MAPK14PGRMAPK10MAPTNR3C1

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-8999520-B2 Organometallic complex and light emitting element, light emitting device, and electronic device using the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-04-07 US disclosed