SCHEMBL8775932

SCHEMBL8775932

ON(CCCCCCCC(c1ccccc1)c1cccnc1)C(=S)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.53
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
EPHX2 P34913 3/20 0.46
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASR P41180 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8775837 0.99 TBXAS1 (0.51) TBXAS1OPRM1OPRD1EPHX2LMNA
SCHEMBL8775867 0.83 TBXAS1 (0.57) TBXAS1OPRM1OPRD1EPHX2LMNA
SCHEMBL8775822 0.81 TBXAS1 (0.55) TBXAS1OPRM1OPRD1EPHX2SMN1; SMN2
SCHEMBL8775884 0.79 TBXAS1 (0.64) TBXAS1EPHX2LMNASMN1; SMN2CYP2C9
SCHEMBL8776095 0.79 TBXAS1 (0.64) TBXAS1EPHX2LMNASMN1; SMN2CYP2C9
SCHEMBL8775863 0.79 TBXAS1 (0.64) TBXAS1EPHX2LMNASMN1; SMN2CYP2C9
SCHEMBL8775780 0.79 TBXAS1 (0.64) TBXAS1EPHX2LMNASMN1; SMN2CYP2C9
SCHEMBL8775891 0.77 TBXAS1 (0.62) TBXAS1EPHX2LMNASMN1; SMN2CYP2C9
SCHEMBL8776050 0.77 ALDH1A1 (0.46) TBXAS1OPRM1OPRD1EPHX2LMNA
SCHEMBL8776092 0.76 TBXAS1 (0.58) TBXAS1EPHX2LMNASMN1; SMN2CASR

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