SCHEMBL9001998

SCHEMBL9001998

O=C(CCl)NC(=O)OCCSc1cccc2nccn12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
CHEK1 O14757 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
CDK8 P49336 1/20 0.31
MAP2K1 Q02750 1/20 0.31
ACVR1 Q04771 1/20 0.31
MAP4K2 Q12851 1/20 0.31
ROCK1 Q13464 1/20 0.31
DYRK1A Q13627 1/20 0.31
AURKB Q96GD4 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
MAPK1 P28482 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL9002395 0.84 LMNA (0.34) SMN1; SMN2MAPK9MAPK10CHEK1MAP4K4
SCHEMBL9002031 0.82 ACHE (0.34) SMN1; SMN2
SCHEMBL9002036 0.81 LMNA (0.48) SMN1; SMN2
SCHEMBL9002520 0.81 ACHE (0.43) SMN1; SMN2
SCHEMBL8581462 0.80 PTGS2 (0.36) SMN1; SMN2MAPK9MAPK10CHEK1MAP4K4
SCHEMBL9001895 0.80 ACHE (0.38)
SCHEMBL9002205 0.80 ALDH1A1 (0.39) SMN1; SMN2
SCHEMBL9002225 0.79 PKM (0.40) SMN1; SMN2
SCHEMBL9001857 0.78 HPGD (0.34) SMN1; SMN2MAPK1
SCHEMBL9002235 0.78 SMN1; SMN2 (0.42) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP claimed
EP-0226081-A1 Disinfectant Henkel Kommanditgesellschaft auf Aktien (DE) 1987-06-24 EP claimed
US-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 US disclosed
EP-0489037-B1 ANTI-PLAQUE TOOTHPASTE HENKEL KGAA (DE) 1995-08-02 EP disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 US disclosed
EP-0489049-B1 ANTI-PLAQUE TOOTHPASTE HENKEL KGAA (DE) 1994-12-07 EP disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 US disclosed
EP-0249170-B1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-17 EP disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP disclosed
US-4921851-A Cephem compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-05-01 US disclosed
EP-0249170-A2 Cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-12-16 EP disclosed