SCHEMBL8890624

SCHEMBL8890624

COc1ccc2c(c1)NC(=S)c1ccccc1N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
GAA P10253 5/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NOX1 Q9Y5S8 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
CHRM1 P11229 3/20 0.44
ALDH1A1 P00352 4/20 0.44
SNCA P37840 1/20 0.44
GFER P55789 1/20 0.42
MDM2 Q00987 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL11878670 1.00 MAPT (0.49) MAPTGAAKMT2ASMN1; SMN2MEN1
SCHEMBL11883393 0.90 NOX1 (0.51) MAPTGAAKMT2ASMN1; SMN2MEN1
SCHEMBL2511248 0.79 ALDH1A1 (0.55) MAPTGAAKMT2AMEN1NOX1
SCHEMBL31351355 0.79 SNCA (0.63) MAPTGAAKMT2ASMN1; SMN2MEN1
SCHEMBL29242101 0.79 SNCA (0.63) MAPTGAAKMT2ASMN1; SMN2MEN1
SCHEMBL8889856 0.79 CSNK1G1 (0.66) MAPTGAAKMT2ASMN1; SMN2MEN1
SCHEMBL25138231 0.78 NOX1 (0.56) MAPTGAAKMT2ASMN1; SMN2MEN1
SCHEMBL8230577 0.76 CHEK1 (0.66) MAPTKMT2ASMN1; SMN2MEN1NOX1
SCHEMBL11878147 0.76 CHEK1 (0.66) MAPTKMT2ASMN1; SMN2MEN1NOX1
SCHEMBL12683716 0.75 ALDH1A1 (0.59) MAPTGAAKMT2ASMN1; SMN2MEN1

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-1997000252-A1 TRICYCLIC INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-01-03 WO disclosed