SCHEMBL9388253

SCHEMBL9388253

COc1cc(OC)nc(SC(C(=O)N(N)S(C)(=O)=O)C(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ADORA3 P0DMS8 2/20 0.33
CYP1A2 P05177 1/20 0.33
ADORA1 P30542 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9388244 0.84 TP53 (0.42) SMN1; SMN2CYP1A2TP53GLAMAPT
SCHEMBL9388237 0.79 ADORA3 (0.41) ALDH1A1ADORA3ADORA1
SCHEMBL9384283 0.77 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL9389241 0.77 EDNRB (0.38) SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9755676 0.77 PPARA (0.47) LMNASMN1; SMN2ALDH1A1ADORA3CYP1A2
SCHEMBL13851482 0.77 ALOX5 (0.44) LMNAALDH1A1CYP1A2KDM4E
SCHEMBL9082975 0.77 ALOX5 (0.44) LMNAALDH1A1CYP1A2KDM4E
SCHEMBL13851483 0.77 ALOX5 (0.44) LMNAALDH1A1CYP1A2KDM4E
SCHEMBL16160330 0.77 CYP1A2 (0.44) LMNASMN1; SMN2ALDH1A1ADORA3CYP1A2
SCHEMBL9383856 0.76 EDNRB (0.39) LMNASMN1; SMN2ALDH1A1CYP1A2MAPT

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-0588194-A2 Hydrazones and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-23 EP disclosed