SCHEMBL6248317

SCHEMBL6248317

O=C(CCl)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.73
MGAM O43451 3/20 0.66
AMY1A P0DUB6 2/20 0.66
MAPT P10636 3/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
PTK2B Q14289 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
THRB P10828 3/20 0.62
TP53 P04637 1/20 0.62
FLT3 P36888 1/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL23850641 0.84 RORC (1.00) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL7888385 0.83 MGAM (0.73) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL23851325 0.83 RORC (1.00) RORCMGAMAMY1AMAPTSMN1; SMN2
SCHEMBL23851337 0.83 RORC (1.00) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL3802984 0.82 RORC (0.68) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL4080130 0.82 RORC (0.68) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL3801324 0.82 RORC (0.68) RORCMGAMAMY1AMAPTKDM4E
Bicarbonate SCHEMBL7890907 0.81 RORC (0.67) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL7890904 0.81 RORC (0.67) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL23850790 0.80 RORC (1.00) RORCMGAMAMY1AMAPTKDM4E

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
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed