SCHEMBL8563133

SCHEMBL8563133

CCOCc1cncc([N+](=O)[O-])c1Sc1cc(C)cc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
USP7 Q93009 1/20 0.32
USP47 Q96K76 1/20 0.32
GPR35 Q9HC97 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.30
IDO1 P14902 1/20 0.30
LMNA P02545 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
SCHEMBL22897819 0.67 TSHR (0.53) SMN1; SMN2GPR35ALDH1A1MAPTTDP1
SCHEMBL7011711 0.63 KDM4E (0.35) ALDH1A1
SCHEMBL12086376 0.61 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL28339878 0.61 BACE1 (0.44) SMN1; SMN2GPR35ALDH1A1MAPTTSHR
SCHEMBL18314720 0.61 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL7009673 0.60 KDM4E (0.40) SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL11564941 0.60 ALDH1A1 (0.38) SMN1; SMN2GPR35ALDH1A1MAPTTDP1
SCHEMBL1341344 0.59 PDE7A (0.54) SMN1; SMN2ALDH1A1MAPTTDP1LMNA
SCHEMBL134539 0.59 GPR35 (0.57) SMN1; SMN2GPR35ALDH1A1MAPTTDP1
SCHEMBL22389455 0.59 MAPT (0.61) SMN1; SMN2ALDH1A1MAPTL3MBTL1CYP1A2

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-0843663-A1 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-05-27 EP claimed
EP-0843663-A1 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-05-27 EP disclosed