SCHEMBL7971936

SCHEMBL7971936

C[C@@H](NS(=O)(=O)O)c1ncc2sccn12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
CHEK1 O14757 1/20 0.31
LIMK1 P53667 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL8054632 0.79 KDM4E (0.35) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL8053799 0.76 SSTR4 (0.33) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL8056613 0.71 KDM4E (0.31) KDM4E
SCHEMBL7963870 0.70 CHEK1 (0.31) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL8059116 0.69 ELANE (0.33) KDM4E
SCHEMBL8052680 0.68 CHEK1 (0.30) CHEK1LIMK1DYRK1ACLK4
SCHEMBL7632455 0.61 DYRK1A (0.39) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL5044459 0.60
SCHEMBL8054483 0.58 HPGD (0.40) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL27567869 0.56 HRH4 (0.43)

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
US-6242437-B1 HAS HIGHER ANTIMICROBIAL ACTIVITY AGAINST METHICILLINE-RESISTANT STAPHYLOCOCCUS AUREUS (MRSA), PENICILLIN-RESISTANT STREPTOCOCCUS PNEUMONIAE (PRSP), AND IMIPENEM-RESISTANT PSEUDOMONAS AERUGINOSA ONIUM SALT MEIJI SEIKA KAISHA, LTD. (JP) 2001-06-05 US disclosed
EP-0947517-A1 CEPHEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 1999-10-06 EP disclosed