SCHEMBL19767752

SCHEMBL19767752

CCCCCCCCCCCC1c2ccc(Br)cc2-c2ccc(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
MAPT P10636 3/20 0.34
PGR P06401 1/20 0.34
MAPK1 P28482 1/20 0.33
CES2 O00748 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.32
GRM2 Q14416 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL28002427 0.94 LMNA (0.36) CYP1A2CYP2D6CYP2C19SIRT2MAPT
SCHEMBL5537755 0.94 LMNA (0.36) CYP1A2CYP2D6CYP2C19SIRT2MAPT
SCHEMBL13475130 0.94 LMNA (0.36) CYP1A2CYP2D6CYP2C19SIRT2MAPT
SCHEMBL27771108 0.87 NPC1 (0.37) CYP1A2CYP2D6CYP2C19MAPTPGR
SCHEMBL20233412 0.85 LMNA (0.34) CYP1A2CYP2D6CYP2C19MAPTPGR
SCHEMBL17878900 0.80 SIRT2 (0.34) CYP1A2CYP2D6CYP2C19SIRT2NPC1
SCHEMBL16442400 0.78 GPR3 (0.34) SIRT2MAPTNPC1GAANFKB1
SCHEMBL2813518 0.77 GPR3 (0.33) SIRT2PGRNPC1GAANFKB1
SCHEMBL1452779 0.76 PGR (0.38) MAPTPGRMAPK1NPC1RAB9A
SCHEMBL17067722 0.76 CNR1 (0.38) MAPK1NPC1NFKB1RAB9ANFKB2

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-10032984-B2 Polymer and organic light emitting device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2018-07-24 US disclosed
US-20180019400-A1 POLYMER AND ORGANIC LIGHT EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2018-01-18 US disclosed