SCHEMBL5507477

SCHEMBL5507477

CCNc1ccc(N)c2nc(OCC)sc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
MAPK1 P28482 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
GFER P55789 1/20 0.33
PLEC Q15149 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
IDO1 P14902 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
SCHEMBL5506903 0.89 KDM4E (0.33) KDM4EMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL5506839 0.84 HSD17B10 (0.39) KDM4EMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL5510300 0.80 KDM4E (0.40) KDM4EMAPK1HSD17B10ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL5999836 0.77 HSD17B10 (0.35) KDM4EMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL5507028 0.76 POLB (0.34) KDM4EMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL5507282 0.76 KDM4E (0.33) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL5501490 0.75 ALDH1A1 (0.38) KDM4EMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL5500602 0.75 TSHR (0.39) MAPTTDP1TSHR
SCHEMBL5500552 0.72 KDM4E (0.34) KDM4EMAPK1HSD17B10
SCHEMBL5505259 0.72 ALDH1A1 (0.45) KDM4EMAPK1HSD17B10ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP claimed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO claimed
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP disclosed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO disclosed