SCHEMBL16675083

SCHEMBL16675083

Brc1cccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
TDO2 P48775 1/20 0.43
NPC1 O15118 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
TOP2A P11388 3/20 0.42
PRKD3 O94806 3/20 0.41
MAP4K4 O95819 3/20 0.41
CLK2 P49760 3/20 0.41
MAP4K2 Q12851 3/20 0.41
DYRK1A Q13627 3/20 0.41
NTRK3 Q16288 3/20 0.41
AURKB Q96GD4 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
CSF1R P07333 2/20 0.41
JAK2 O60674 2/20 0.41
IGF1R P08069 2/20 0.41
FGFR1 P11362 2/20 0.41

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
SCHEMBL3357542 0.95 IDO1 (0.42) IDO1TDO2NPC1TSHRRAB9A
SCHEMBL24514813 0.88 IKBKB (0.47) TOP2APRKD3MAP4K4CLK2MAP4K2
SCHEMBL29284768 0.85 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2TOP2APRKD3
SCHEMBL30964092 0.85 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2TOP2APRKD3
SCHEMBL28859500 0.84 IKBKB (0.53) TOP2APRKD3MAP4K4CLK2MAP4K2
SCHEMBL28868 0.84 IKBKB (0.53) TOP2APRKD3MAP4K4CLK2MAP4K2
Benzene SCHEMBL28095234 0.84 IKBKB (0.53) TOP2APRKD3MAP4K4CLK2MAP4K2
SCHEMBL17125560 0.83 PIK3CA (0.54) TOP2APRKD3MAP4K4CLK2MAP4K2
SCHEMBL17125578 0.83 PIK3CA (0.49) TOP2APRKD3MAP4K4CLK2MAP4K2
Ammonia Solution, Strong SCHEMBL17396339 0.82 IKBKB (0.52) TOP2APRKD3MAP4K4CLK2MAP4K2

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
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