SCHEMBL11245175

SCHEMBL11245175

COc1cc(N)c(N)cc1OCCCCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.40
PRSS1 P07477 4/20 0.40
ENPP1 P22413 2/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HTR2A P28223 2/20 0.37
L3MBTL4 Q8NA19 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
SLC10A2 Q12908 1/20 0.36
GAA P10253 1/20 0.36
SMPD1 P17405 1/20 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
SCHEMBL11231612 0.95 KDM4E (0.40) HTR4PRSS1ENPP1KDM4EPKM
SCHEMBL11239999 0.90 KDM4E (0.41) HTR4PRSS1ENPP1KDM4EPKM
SCHEMBL11237040 0.84 TSHR (0.36) HTR4PRSS1KDM4EPKM
SCHEMBL22660931 0.80 ALDH1A1 (0.49) PRSS1KDM4EPKMGAA
SCHEMBL11240613 0.80 ALDH1A1 (0.45) PRSS1KDM4E
SCHEMBL22660919 0.80 ALDH1A1 (0.49) PRSS1KDM4EPKMGAA
SCHEMBL22660946 0.80 ALDH1A1 (0.49) KDM4EPKM
SCHEMBL29495105 0.80 ALDH1A1 (0.49) PRSS1KDM4EPKMGAA
SCHEMBL11251555 0.79 TSHR (0.36) HTR4
SCHEMBL28677330 0.79 ALDH1A1 (0.47) KDM4EPKM

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
US-4323682-A BLEACHING CATALYSTS CIBA GEIGY AG (CH) 1982-04-06 US disclosed
US-4202698-A DYE BLEACH CATALYSTS CIBA-GEIGY AG (CH) 1980-05-13 US disclosed