SCHEMBL12430638

SCHEMBL12430638

COc1ccc(/C=C2/CCC(=S)N(C(C)=O)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
DYRK1A Q13627 4/20 0.46
DYRK1B Q9Y463 4/20 0.46
MAPT P10636 3/20 0.46
MIF P14174 2/20 0.44
ALDH1A1 P00352 4/20 0.44
CLK1 P49759 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 1/20 0.44
THRB P10828 1/20 0.43
CYP26A1 O43174 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL14259260 0.88 CYP1A2 (0.47) CYP1A2DYRK1ADYRK1BMAPTALDH1A1
SCHEMBL85753 0.73 ALDH1A1 (0.69) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL18973523 0.73 MAPT (0.62) MAPTALDH1A1THRBNPC1KMT2A
SCHEMBL17693071 0.72 CYP1A2 (0.86) CYP1A2DYRK1ADYRK1BMAPTMIF
SCHEMBL23633280 0.72 CYP1A2 (0.86) CYP1A2DYRK1ADYRK1BMAPTMIF
SCHEMBL29506225 0.70 CYP1A2 (0.61) CYP1A2DYRK1ADYRK1BMAPTMIF
SCHEMBL17691416 0.69 CYP1A2 (0.68) CYP1A2DYRK1ADYRK1BMAPTMIF
SCHEMBL17693074 0.67 CYP1A2 (1.00) CYP1A2DYRK1ADYRK1BMAPTALDH1A1
SCHEMBL1524473 0.66 CYP1A2 (0.69) CYP1A2DYRK1ADYRK1BMAPTMIF
SCHEMBL17077381 0.66 EGFR (0.88) CYP1A2EGFR

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-1803784-B1 Inkjet recording composition, inkjet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2011-08-03 EP disclosed