SCHEMBL7842368

SCHEMBL7842368

CS(=O)(=O)OCCCCc1cccc2nccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CDK8 P49336 2/20 0.35
ROCK1 Q13464 2/20 0.35
CHEK1 O14757 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ACVR1 Q04771 1/20 0.35
MAP4K2 Q12851 1/20 0.35
DYRK1A Q13627 1/20 0.35
AURKB Q96GD4 1/20 0.35
DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL7841739 0.96 CDK8 (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7841691 0.84 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9002414 0.78 CDK8 (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7847210 0.75 KDM4E (0.37) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7845451 0.75 CDK8 (0.42) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9001996 0.74 CDK8 (0.35) CDK8ROCK1CHEK1MAP4K4CSF1R
Hydrochloric Acid SCHEMBL7847073 0.74 TBXAS1 (0.51) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL22268440 0.73 TBXAS1 (0.44) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL20099909 0.72 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL1779495 0.72 GGPS1 (0.45) KDM4EALDH1A1LMNAADORA3

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-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed