SCHEMBL9388244

SCHEMBL9388244

COc1cc(OC)nc(SC(C(=O)N(N)S(=O)(=O)c2ccccc2)C(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL9388253 0.84 LMNA (0.38) TP53GLAMAPTSMN1; SMN2CYP1A2
SCHEMBL9383783 0.76 NPSR1 (0.36) SMN1; SMN2NPSR1
SCHEMBL9384283 0.74 SMN1; SMN2 (0.37) TP53SMN1; SMN2
SCHEMBL9389241 0.74 EDNRB (0.38) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL9082975 0.74 ALOX5 (0.44) CYP1A2
SCHEMBL13851482 0.74 ALOX5 (0.44) CYP1A2
SCHEMBL13851483 0.74 ALOX5 (0.44) CYP1A2
SCHEMBL9388237 0.74 ADORA3 (0.41) KMT2A
SCHEMBL9384049 0.73 EPHX1 (0.34) SMN1; SMN2
SCHEMBL9383856 0.73 EDNRB (0.39) MAPTSMN1; SMN2MEN1CYP1A2CYP2C19

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