SCHEMBL1934858

SCHEMBL1934858

N#C/C(=C\C=C\c1cccc(Br)n1)C(=O)NCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
USP9X Q93008 2/20 0.55
MCL1 Q07820 1/20 0.52
LMNA P02545 3/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
RGS12 O14924 1/20 0.47
GMNN O75496 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL840572 0.89 USP9X (0.66) MAOBUSP9XMCL1LMNAGAA
SCHEMBL840571 0.89 USP9X (0.66) MAOBUSP9XMCL1LMNAGAA
SCHEMBL1935191 0.88 MAOB (0.59) MAOBMCL1LMNAGAAKDM4E
SCHEMBL1934987 0.87 USP9X (0.72) MAOBUSP9XLMNAGAAKDM4E
SCHEMBL1934787 0.80 USP9X (0.68) USP9XLMNAGAAKDM4EALDH1A1
Mol-4239 SCHEMBL1316581 0.77 STAT3 (0.77) USP9XLMNAKDM4EALDH1A1HPGD
Mol-4239 SCHEMBL1318844 0.77 STAT3 (0.77) USP9XLMNAKDM4EALDH1A1HPGD
Mol-4239 SCHEMBL29818004 0.77 STAT3 (0.77) USP9XLMNAKDM4EALDH1A1HPGD
Mol-4239 SCHEMBL862248 0.77 STAT3 (0.77) USP9XLMNAKDM4EALDH1A1HPGD
Mol-4239 SCHEMBL862020 0.77 STAT3 (0.77) USP9XLMNAKDM4EALDH1A1HPGD

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-2506852-A2 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION Board Of Regents, The University Of Texas System (US) 2012-10-10 EP disclosed
WO-2011069141-A2 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-09 WO disclosed