SCHEMBL9124409

SCHEMBL9124409

CCOC(=O)c1c(Cl)nc(SC)nc1CC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.43
ADORA3 P0DMS8 4/20 0.43
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL537829 0.92 MAPT (0.48) MAPTTSHRLMNAMAPK1NPSR1
SCHEMBL14407169 0.90 MAPT (0.41) MAPTTSHRLMNAADORA3MAPK1
SCHEMBL31207902 0.86 LMNA (0.44) MAPTTSHRLMNAADORA3MAPK1
SCHEMBL1298575 0.86 LMNA (0.44) MAPTTSHRLMNAADORA3MAPK1
SCHEMBL31207901 0.86 LMNA (0.44) MAPTTSHRLMNAADORA3MAPK1
SCHEMBL22573664 0.84 KDM4E (0.49) MAPTTSHRLMNAMAPK1NPSR1
SCHEMBL15155090 0.83 ADORA3 (0.49) MAPTLMNAADORA3NPSR1HPGD
SCHEMBL25366832 0.82 ALDH1A1 (0.41) MAPTTSHRLMNAMAPK1NPSR1
SCHEMBL30558073 0.82 ALDH1A1 (0.41) MAPTTSHRLMNAMAPK1NPSR1
SCHEMBL25366055 0.81 MAPT (0.41) MAPTTSHRLMNAMAPK1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439911-A A potent fungicides, insecticides and miticides SHIONOGI & CO., LTD. (JP) 1995-08-08 US disclosed
EP-0606011-A1 Aminopyrimidine derivatives and their production and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-07-13 EP disclosed