SCHEMBL19660696

SCHEMBL19660696

CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3ccc4c(Br)ccc5ccc2c3c54)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CYP2D6 P10635 1/20 0.30
NR1H4 Q96RI1 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
SCHEMBL31488859 0.95
SCHEMBL22256245 0.94 TP53 (0.34) TP53SMN1; SMN2
SCHEMBL14339342 0.92 MEN1 (0.36) MEN1RAB9AKMT2ANPSR1TP53
SCHEMBL12856442 0.92 MEN1 (0.36) MEN1RAB9AKMT2ANPSR1TP53
SCHEMBL13948921 0.90 MEN1 (0.35) MEN1RAB9AKMT2ANPSR1TP53
SCHEMBL12200354 0.87 CYP1A2 (0.33) CYP2D6
SCHEMBL19770513 0.86 MEN1 (0.31) MEN1KMT2A
SCHEMBL12856477 0.86 TSHR (0.34) RAB9ATP53SMN1; SMN2NR1H4
SCHEMBL19784927 0.85 TSHR (0.42) MEN1RAB9AKMT2ANPSR1TP53
SCHEMBL13304296 0.85 TP53 (0.39) TP53SMN1; SMN2KEAP1NFE2L2NR1H4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018021737-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-02-01 WO disclosed
WO-2017204556-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2017-11-30 WO disclosed