SCHEMBL16340463

SCHEMBL16340463

O=[N+]([O-])c1ccc(F)c(Br)c1.O=[N+]([O-])c1ccc(Oc2ccc(F)cc2F)c(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 7/20 0.67
EPAS1 Q99814 1/20 0.52
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HIF1A Q16665 1/20 0.43
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TBXA2R P21731 1/20 0.39
S1PR4 O95977 1/20 0.38
VCP P55072 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
SCHEMBL15067682 0.96 HSPB1 (0.72) HSPB1EPAS1MAPTTDP1L3MBTL1
SCHEMBL29533051 0.96 HSPB1 (0.72) HSPB1EPAS1MAPTTDP1L3MBTL1
SCHEMBL20154998 0.85 HSPB1 (0.53) HSPB1EPAS1MAPTTDP1L3MBTL1
SCHEMBL29845685 0.85 HSPB1 (0.53) HSPB1EPAS1MAPTTDP1L3MBTL1
SCHEMBL29683621 0.82 HSPB1 (0.49) HSPB1MAPTTDP1L3MBTL1HTT
SCHEMBL16339880 0.82 HSPB1 (0.62) HSPB1EPAS1MAPTTDP1L3MBTL1
SCHEMBL431642 0.81 ALDH1A1 (0.62) HSPB1MAPTTDP1ALDH1A1HIF1A
SCHEMBL29669906 0.81 ALDH1A1 (0.62) HSPB1MAPTTDP1ALDH1A1HIF1A
SCHEMBL21904820 0.80 HSPB1 (0.71) HSPB1MAPTTDP1L3MBTL1HTT
SCHEMBL31395357 0.80 HSPB1 (0.71) HSPB1MAPTTDP1L3MBTL1HTT

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
EP-3013828-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-05-04 EP disclosed
WO-2014206150-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-12-31 WO disclosed