SCHEMBL4456748

SCHEMBL4456748

CC1(C)C=Cc2cccc(O)c2N1

nearest known ligand 0.30

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EGFR P00533 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
FYN P06241 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MMP8 P22894 1/20 0.30
CA6 P23280 1/20 0.30
CDK2 P24941 1/20 0.30
MMP12 P39900 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ADAMTS5 Q9UNA0 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
SCHEMBL1232231 0.84
SCHEMBL4440495 0.82
SCHEMBL10841507 0.79 HTR2C (0.37) CA1CA2
SCHEMBL10839816 0.78 HTR2C (0.36) CA1CA2
SCHEMBL10840825 0.78 HTR2C (0.36) CA1CA2
SCHEMBL29789696 0.78 HTR2C (0.36) CA1CA2
SCHEMBL1155361 0.76 THRB (0.30)
Lithium Ion SCHEMBL30093254 0.76 THRB (0.30)
SCHEMBL9217708 0.76 THRB (0.30)
SCHEMBL8321058 0.76 THRB (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
US-20080207673-A1 Method for Treating Cancer, Coronary, Inflammatory and Macular Disease, Combining the Modulation of Zinc-and/or Copper Dependent Proteins XILINAS MICHEL 2008-08-28 US claimed
EP-2034538-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE MATERIAL IDEMITSU KOSAN CO (JP) 2013-10-09 EP disclosed
CN-101039899-B Aryl sulfonic acid compound and use thereof as electron-accepting substance NISSAN CHEMICAL IND LTD 2010-09-29 CN disclosed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO disclosed
CN-101039899-A Aryl sulfonic acid compound and use thereof as electron-accepting substance NISSAN CHEMICAL IND LTD (JP) 2007-09-19 CN disclosed