SCHEMBL5289612

SCHEMBL5289612

CC(C)=NN=c1sc2cc(OC(=O)O)ccc2n1CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 8/20 0.39
KDM4E B2RXH2 7/20 0.39
MAPT P10636 6/20 0.39
LMNA P02545 5/20 0.39
GAA P10253 3/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 2/20 0.37
HSD17B10 Q99714 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RXFP1 Q9HBX9 3/20 0.37
TSHR P16473 2/20 0.37
XBP1 P17861 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNQ3 O43525 4/20 0.35

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
SCHEMBL5277827 0.85 SMN1; SMN2 (0.45) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL4615649 0.84 HPGD (0.39) ALDH1A1NPSR1HPGDKDM4EMAPT
SCHEMBL5289607 0.83 HPGD (0.38) ALDH1A1NPSR1HPGDKDM4EMAPT
SCHEMBL5371928 0.83 HPGD (0.38) ALDH1A1NPSR1HPGDKDM4EMAPT
SCHEMBL5283843 0.76 MAPT (0.45) ALDH1A1NPSR1MAPTLMNAGAA
SCHEMBL5277645 0.73 ALDH1A1 (0.45) ALDH1A1NPSR1HPGDKDM4EMAPT
SCHEMBL5283946 0.73 ALDH1A1 (0.48) ALDH1A1NPSR1HPGDKDM4EMAPT
SCHEMBL5283941 0.73 ALDH1A1 (0.48) ALDH1A1NPSR1HPGDKDM4EMAPT
SCHEMBL4616329 0.71 KDM4E (0.47) ALDH1A1NPSR1HPGDKDM4EMAPT
SCHEMBL5278485 0.69 MAPT (0.60) ALDH1A1NPSR1HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP disclosed
EP-1599178-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078151-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed