SCHEMBL9312641

SCHEMBL9312641

CC=C(C(=O)OC)c1csc2ccc(CBr)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.37
MTNR1A P48039 7/20 0.36
CHEK1 O14757 1/20 0.36
MET P08581 1/20 0.36
GSK3B P49841 1/20 0.36
LIMK1 P53667 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MTNR1B P49286 3/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
FFAR2 O15552 1/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NFATC1 O95644 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL9209687 0.90 TBXAS1 (0.36) TBXAS1MTNR1ACHEK1METGSK3B
SCHEMBL9314703 0.84 TBXAS1 (0.35) TBXAS1MTNR1ACHEK1METGSK3B
SCHEMBL9218481 0.83 PTK2 (0.38) TBXAS1MTNR1ACHEK1METGSK3B
SCHEMBL9312321 0.82 MAPT (0.42) MTNR1ACHEK1METGSK3BLIMK1
SCHEMBL9313258 0.82 FFAR1 (0.48) SMN1; SMN2MEN1KMT2A
SCHEMBL9220938 0.81 MTNR1A (0.49) MTNR1ACHEK1METGSK3BLIMK1
SCHEMBL9312539 0.80 CHEK1 (0.37) MTNR1ACHEK1METGSK3BLIMK1
SCHEMBL9219067 0.79 MAPT (0.45) MTNR1AMTNR1BTP53SMN1; SMN2KDM4E
SCHEMBL9213989 0.79 GCGR (0.37) TBXAS1FFAR2KDM4EMEN1MAPT
SCHEMBL9221643 0.78 MTNR1A (0.36) TBXAS1MTNR1AMTNR1BMAPTKLKB1

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
US-5376677-A Fungicides CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed