SCHEMBL3357542

SCHEMBL3357542

Brc1cccc(-c2ccnc3c2ccc2c(-c4cccc(Br)c4)ccnc23)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
TDO2 P48775 1/20 0.42
TOP2A P11388 2/20 0.42
PIK3CD O00329 1/20 0.42
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
BIRC5 O15392 1/20 0.39
NUDT1 P36639 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
METAP2 P50579 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL16675083 0.95 IDO1 (0.43) IDO1TDO2TOP2APIK3CDNR1H2
SCHEMBL4013276 0.85 NR1H2 (0.53) IDO1TDO2PIK3CDNR1H2NR1H3
SCHEMBL16675082 0.83 CCR1 (0.39) TOP2APIK3CDNR1H2NR1H3TP53
SCHEMBL4012984 0.82 NR1H2 (0.62) IDO1TDO2TOP2APIK3CDNR1H2
SCHEMBL24514813 0.81 IKBKB (0.47) TOP2APIK3CDNR1H2NR1H3NUDT1
SCHEMBL18695357 0.80 CCR1 (0.50) IDO1TDO2PIK3CDBIRC5TP53
SCHEMBL17125578 0.80 PIK3CA (0.49) TOP2APIK3CDNR1H2NR1H3NUDT1
SCHEMBL30964092 0.79 ALDH1A1 (0.48) TOP2ANR1H2NR1H3NPC1RAB9A
SCHEMBL29284768 0.79 ALDH1A1 (0.48) TOP2ANR1H2NR1H3NPC1RAB9A
SCHEMBL12315202 0.79 LRRK2 (0.46) TOP2APIK3CDNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150118507-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2015-04-30 US disclosed
US-20150118507-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2015-04-30 US disclosed
EP-2161272-A1 Phenanthrolines BASF SE (DE) 2010-03-10 EP disclosed