SCHEMBL28329652

SCHEMBL28329652

COc1ccnc([C]=S)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
ERN1 O75460 2/20 0.33
SMPD3 Q9NY59 2/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33

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
SCHEMBL5657411 0.81 MAPT (0.39) MAPTALDH1A1KDM4EMAPK1TP53
SCHEMBL17416877 0.81 ALDH1A1 (0.42) MAPTALDH1A1KDM4EMAPK1TP53
SCHEMBL7118342 0.72 MAPK1 (0.45) MAPTALDH1A1KDM4EMAPK1TP53
SCHEMBL8198856 0.72 KDM4E (0.45) MAPTALDH1A1KDM4EMAPK1TP53
SCHEMBL24122438 0.71 MAPT (0.44) MAPTALDH1A1KDM4EMAPK1TP53
SCHEMBL28861826 0.71 KDM4E (0.43) MAPTALDH1A1KDM4EMAPK1TP53
SCHEMBL30032251 0.71 NOS3 (0.44) MAPTALDH1A1KDM4EMAPK1TP53
SCHEMBL4704137 0.71 NOS3 (0.44) MAPTALDH1A1KDM4EMAPK1TP53
SCHEMBL5657009 0.71 KDM4E (0.43) MAPTALDH1A1KDM4EMAPK1TP53
SCHEMBL15469493 0.71 MAPT (0.43) MAPTALDH1A1KDM4EMAPK1TP53

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
CN-110352006-A PICOLINAMIDES AS FUNGICIDES 美国陶氏益农公司 2019-10-18 CN disclosed