SCHEMBL10889472

SCHEMBL10889472

NC=CCc1ccccc1C=NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.42
LMNA P02545 5/20 0.42
ALDH1A1 P00352 3/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGER4 P35408 2/20 0.37
PTGER3 P43115 2/20 0.37
PTGER2 P43116 2/20 0.37
HTT P42858 5/20 0.37
FGF23 Q9GZV9 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36

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
SCHEMBL8559991 0.78 HPGD (0.53) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL11087194 0.78 HPGD (0.53) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL10600637 0.77 HPGD (0.46) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL10600629 0.77 HPGD (0.46) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL666674 0.76 MAOB (0.38) PTGER4PTGER3PTGER2
SCHEMBL28789692 0.76 ALDH1A1 (0.39) ALDH1A1TSHRPTGER4PTGER3PTGER2
Methylamine SCHEMBL10879151 0.74 USP2 (0.45) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL2161081 0.73 USP2 (0.47) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL10655491 0.73 USP2 (0.47) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL5256848 0.73 LMNA (0.50) HPGDLMNAALDH1A1USP2TSHR

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-0076404-B1 METHOD FOR RECOVERY OF GALLIUM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-29 EP disclosed
US-4468374-A AMIDOOXIME CHELATE RESIN SIMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-28 US disclosed
EP-0076404-A1 Method for recovery of gallium SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-04-13 EP disclosed