SCHEMBL8775857

SCHEMBL8775857

O=C(CCC(c1ccccc1)c1cccnc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.63
EPHX2 P34913 6/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
PLOD2 O00469 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
HSD11B1 P28845 2/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
APP P05067 1/20 0.46
GAA P10253 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
CTNNB1 P35222 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
SCHEMBL21396941 0.85 TDP1 (0.57) EPHX2CYP2C19SMN1; SMN2HSD11B1LMNA
SCHEMBL8775812 0.83 TBXAS1 (0.65) TBXAS1EPHX2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL17596760 0.80 TBXAS1 (0.60) TBXAS1EPHX2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9199313 0.79 PLOD2 (0.79) TBXAS1CYP2C9CYP2C19PLOD2SMN1; SMN2
SCHEMBL28296835 0.78 TBXAS1 (0.58) TBXAS1EPHX2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8699682 0.77 TBXAS1 (0.60) TBXAS1EPHX2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8775807 0.77 TBXAS1 (0.82) TBXAS1EPHX2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8775856 0.77 TBXAS1 (0.82) TBXAS1EPHX2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11990053 0.76 TBXAS1 (0.63) TBXAS1EPHX2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8775789 0.74 SMN1; SMN2 (0.58) TBXAS1EPHX2CYP2C9CYP2C19SMN1; 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 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