SCHEMBL17263270

SCHEMBL17263270

COC(=O)c1nccnc1-c1ccc(F)cc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.41
POLQ O75417 1/20 0.39
CTSA P10619 4/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 1/20 0.38
HSP90AB1 P08238 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
MAP2K4 P45985 1/20 0.37
DHODH Q02127 1/20 0.37
NR3C2 P08235 1/20 0.37
ABL1 P00519 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL22290208 0.85 CDC7 (0.43) ALPLL3MBTL1MAP2K4ALDH1A1HSD17B10
SCHEMBL17263272 0.84 TRPV1 (0.48) L3MBTL1ALDH1A1
SCHEMBL13320926 0.83 RIOK2 (0.36) ALPLL3MBTL1KDM4E
SCHEMBL17263271 0.80 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL22290171 0.78 LMNA (0.50) L3MBTL1MAPK14MAP2K4DHODHKDM4E
SCHEMBL25552001 0.73 KMO (0.54) ALPLPOLQCTSAOXTRAVPR1A
SCHEMBL30037065 0.73 KMO (0.54) ALPLPOLQCTSAOXTRAVPR1A
SCHEMBL9909274 0.72 HTR5A (0.47) ALPLPOLQL3MBTL1MAPK14MAP2K4
SCHEMBL931505 0.71 OXTR (0.59) ALPLPOLQGRIN1GRIN2BL3MBTL1
SCHEMBL4258090 0.71 L3MBTL1 (0.52) ALPLPOLQL3MBTL1MAPK14KDM4E

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-9187689-B2 Organometallic complex and light-emitting element, light-emitting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-11-17 US disclosed