SCHEMBL7007080

SCHEMBL7007080

CCc1c(C)[nH]c(=O)c(NC(C)=O)c1Sc1cc(C)cc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 4/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 3/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MEN1 O00255 1/20 0.31
GBA1 P04062 1/20 0.31
NPC1 O15118 2/20 0.31
GAA P10253 1/20 0.31
PRNP P04156 1/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7010909 0.77 PDE3B (0.35) MAPTHTTHSD17B10SMN1; SMN2PDE3B
SCHEMBL7010610 0.76 ALDH1A1 (0.46) MAPTALDH1A1HPGDKMT2AKDM4E
SCHEMBL7009670 0.72 GRIN2D (0.41) MAPTKMT2AHSD17B10SMN1; SMN2PDE3B
SCHEMBL7005587 0.67 TSHR (0.44) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL7012912 0.66 SMN1; SMN2 (0.38) MAPTALDH1A1HTTKDM4EHSD17B10
SCHEMBL13059570 0.64 MEN1 (0.43) MAPTALDH1A1HPGDHTTKMT2A
SCHEMBL6086721 0.64 TYMP (0.37) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL7007509 0.62 HPGD (0.44) ALDH1A1HPGDKMT2AKDM4EPOLB
SCHEMBL10980251 0.62 ADORA2B (0.35) MAPTALDH1A1HPGDHTTKMT2A
SCHEMBL5701769 0.61 KDM4E (0.38) MAPTHPGDHTTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843663-B9 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NAT RECH SCIENT (FR) 2003-10-29 EP disclosed
EP-0843663-B1 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NAT RECH SCIENT (FR) 2003-04-09 EP disclosed
US-6015820-A VIRICIDES; AIDS TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-01-18 US disclosed
WO-1997005113-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) 1997-02-13 WO disclosed