SCHEMBL17029045

SCHEMBL17029045

O=[N+]([O-])c1ccccc1-c1ccc2c(ccn2-c2ccccc2Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ADORA1 P30542 1/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PTK2 Q05397 1/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL17029046 0.91 ALDH1A1 (0.42) ALDH1A1TDP1ADORA1AVPR2AVPR1A
SCHEMBL17029043 0.88 PDE7A (0.42) ALDH1A1HSD11B1LMNAMAPTMAPK1
SCHEMBL15618131 0.86 LMNA (0.47) ALDH1A1TDP1ADORA1AVPR2AVPR1A
SCHEMBL15618120 0.83 EIF4E (0.41) ALDH1A1TDP1ADORA1AVPR2AVPR1A
SCHEMBL15477945 0.83 ALDH1A1 (0.50) ALDH1A1TDP1ADORA1HSD11B1MAPT
SCHEMBL15618106 0.81 ALDH1A1 (0.51) ALDH1A1TDP1ADORA1HSD11B1LMNA
SCHEMBL15632036 0.79 ALDH1A1 (0.49) ALDH1A1TDP1ADORA1HSD11B1LMNA
SCHEMBL15562894 0.78 ALDH1A1 (0.48) ALDH1A1TDP1ADORA1HSD11B1LMNA
SCHEMBL15618119 0.78 ALDH1A1 (0.48) ALDH1A1TDP1ADORA1LMNAMAPT
SCHEMBL17177972 0.77 ALDH1A1 (0.47) ALDH1A1TDP1ADORA1HSD11B1LMNA

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed