SCHEMBL7707517

SCHEMBL7707517

C(=Cc1ccc(C2Nc3c(ccc4ccccc34)S2)cc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1B1 Q16678 3/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
PTGES O14684 1/20 0.32
CYP1A1 P04798 2/20 0.32
MECP2 P51608 1/20 0.32
MBD2 Q9UBB5 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31

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
SCHEMBL19452811 0.72 CYP2A6 (0.37) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL19452556 0.68 MEN1 (0.34) RELAKDM4EALDH1A1MAPTHPGD
SCHEMBL1808446 0.68 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL11316344 0.68 TAAR1 (0.38) KDM4EALDH1A1MAPTHPGDCYP1B1
(Z)-1,2-Diphenylethene SCHEMBL29177829 0.68 ALDH1A1 (0.63) RELAKDM4EALDH1A1MAPTHPGD
SCHEMBL18544846 0.68 ALDH1A1 (0.37) ALDH1A1HPGDNPC1
SCHEMBL19452689 0.68 MEN1 (0.39) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL19452539 0.68 MEN1 (0.33) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL22418276 0.64 MEN1 (0.33) ALDH1A1MAPTHPGDMECP2MBD2
SCHEMBL10647680 0.62 RELA (0.70) RELAKDM4EALDH1A1MAPTHPGD

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-1234014-A1 PROCESS FOR STABILISATION OF COLOURED BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-08-28 EP disclosed
WO-2001040424-A1 PROCESS FOR STABILISATION OF COLOURED BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-06-07 WO disclosed