SCHEMBL8775894

SCHEMBL8775894

COC(=O)c1cccc(CC(c2ccccc2)c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.55
ALDH1A1 P00352 1/20 0.52
FOLH1 Q04609 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.49
KCNA5 P22460 1/20 0.48
CASR P41180 2/20 0.48
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
HIF1A Q16665 1/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX2 P34913 1/20 0.45
GPR132 Q9UNW8 2/20 0.45
PPIA P62937 1/20 0.45

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
SCHEMBL8775839 0.77 KCNA5 (0.48) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL8775896 0.77 ALDH1A1 (0.54) ALDH1A1KMT2ATDP1SMN1; SMN2GPR132
SCHEMBL27608960 0.76 SLC7A5 (0.61) SLC7A5ALDH1A1FOLH1LOXL2CASR
SCHEMBL20168566 0.75 SLC7A5 (0.76) SLC7A5ALDH1A1FOLH1LOXL2CYP4F2
SCHEMBL3629091 0.74 SIGMAR1 (0.60) SLC7A5ALDH1A1FOLH1LOXL2CASR
SCHEMBL4426418 0.74 SIGMAR1 (0.60) SLC7A5ALDH1A1FOLH1LOXL2CASR
SCHEMBL15609359 0.74 SIGMAR1 (0.60) SLC7A5ALDH1A1FOLH1LOXL2CASR
SCHEMBL8776036 0.74 ALOX5 (0.52) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL8775843 0.74 SLC6A2 (0.46) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL1790854 0.73 SLC7A5 (0.68) SLC7A5ALDH1A1FOLH1LOXL2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed