SCHEMBL6220536

SCHEMBL6220536

CC(NO)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.50
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.45
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 1/20 0.43
POLB P06746 1/20 0.43
CYP17A1 P05093 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL18945578 1.00 KDM4E (0.61) KDM4ESMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL8012590 0.83 KDM4E (0.65) KDM4ESMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL13081367 0.82 KDM4E (0.62) KDM4ESMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL2373412 0.82 KDM4E (0.62) KDM4ESMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL1487951 0.80 KDM4E (0.61) KDM4ESMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL6583342 0.80 KDM4E (0.61) KDM4ESMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL10061711 0.78 POLB (0.60) KDM4ECYP2C9NAMPTPOLB
SCHEMBL14277947 0.78 POLB (0.60) KDM4ECYP2C9NAMPTPOLB
SCHEMBL6222176 0.78 KDM4E (0.58) KDM4ESMN1; SMN2CYP2C9NAMPTPOLB
SCHEMBL19322924 0.78 POLB (0.60) KDM4ECYP2C9NAMPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
EP-1539159-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed