SCHEMBL9218481

SCHEMBL9218481

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.38
TBXAS1 P24557 1/20 0.35
MTNR1A P48039 5/20 0.34
CHEK1 O14757 1/20 0.33
MET P08581 1/20 0.33
GSK3B P49841 1/20 0.33
LIMK1 P53667 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
NFATC1 O95644 1/20 0.32
KLKB1 P03952 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 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
SCHEMBL9215423 0.91 PTK2 (0.36) PTK2TBXAS1MTNR1ANFATC1KLKB1
SCHEMBL9314703 0.90 TBXAS1 (0.35) TBXAS1MTNR1ACHEK1METGSK3B
SCHEMBL9312641 0.83 TBXAS1 (0.37) TBXAS1MTNR1ACHEK1METGSK3B
SCHEMBL9312295 0.81 TBXAS1 (0.34) TBXAS1MTNR1ANFATC1KLKB1KDM4E
SCHEMBL9312321 0.78 MAPT (0.42) MTNR1ACHEK1METGSK3BLIMK1
SCHEMBL9313258 0.78 FFAR1 (0.48) MEN1KMT2A
SCHEMBL9220938 0.77 MTNR1A (0.49) MTNR1ACHEK1METGSK3BLIMK1
SCHEMBL9312539 0.76 CHEK1 (0.37) MTNR1ACHEK1METGSK3BLIMK1
SCHEMBL9219067 0.75 MAPT (0.45) MTNR1AKDM4ECYP1A2MAPTHPGD
SCHEMBL9209687 0.74 TBXAS1 (0.36) TBXAS1MTNR1ACHEK1METGSK3B

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
EP-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP disclosed
EP-0433233-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-06-19 EP disclosed