SCHEMBL7053852

SCHEMBL7053852

C[CH]Sc1ccccc1OCCl

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 1/20 0.30
SLC6A9 P48067 1/20 0.30

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
SCHEMBL8429705 0.83 ALDH1A1 (0.47) HPGD
SCHEMBL7056770 0.76 CA1 (0.50)
SCHEMBL7690167 0.72 KDM4E (0.46) KDM4EHPGDSMN1; SMN2
SCHEMBL7050103 0.72 IRAK4 (0.41) KDM4ESMN1; SMN2
SCHEMBL1264053 0.71 ALDH1A1 (0.45) KDM4EHPGDSMN1; SMN2
SCHEMBL7053251 0.71 KDM4E (0.34) KDM4EHPGDSMN1; SMN2
SCHEMBL1705449 0.67 TSHR (0.41) KDM4EHPGD
SCHEMBL7049447 0.67 ALDH1A1 (0.35) KDM4EHPGDSMN1; SMN2
SCHEMBL8893668 0.67 CA12 (0.62) HPGDSMN1; SMN2
SCHEMBL6205320 0.67 ALDH1A1 (0.52) KDM4EHPGDSMN1; SMN2

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-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed