SCHEMBL22256245

SCHEMBL22256245

CC(C)(C)c1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3ccc4c(Br)ccc5ccc2c3c54)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
KIF11 P52732 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
CYP19A1 P11511 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL19660696 0.94 MEN1 (0.32) TP53SMN1; SMN2
SCHEMBL13304296 0.92 TP53 (0.39) TP53SMN1; SMN2PTGESALOX5KIF11
SCHEMBL31488859 0.91
SCHEMBL22256065 0.90 ALDH1A1 (0.33)
SCHEMBL28528132 0.88 ALDH1A1 (0.32)
SCHEMBL13321310 0.87 KIF11 (0.38) TP53SMN1; SMN2PTGESALOX5KIF11
SCHEMBL14339342 0.86 MEN1 (0.36) TP53SMN1; SMN2PTGESALOX5KIF11
SCHEMBL12856442 0.86 MEN1 (0.36) TP53SMN1; SMN2PTGESALOX5KIF11
SCHEMBL17933159 0.85 TP53 (0.34) TP53SMN1; SMN2PTGESALOX5KIF11
SCHEMBL13948921 0.84 MEN1 (0.35) TP53SMN1; SMN2KIF11TNKSTNKS2

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-20200235320-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-07-23 US disclosed