SCHEMBL6535602

SCHEMBL6535602

Cc1c[nH]c(=O)c(-c2cccs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 4/20 0.42
PIM1 P11309 1/20 0.42
CHEK1 O14757 1/20 0.42
DAO P14920 1/20 0.42
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
LTK P29376 1/20 0.40
CDK5 Q00535 1/20 0.40
MST1R Q04912 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MAPT P10636 3/20 0.38
SLC6A11 P48066 1/20 0.38
MEN1 O00255 3/20 0.37

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
SCHEMBL31499190 0.77 KMT2A (0.44) ALDH1A1HPGDKDM4EPIM1KMT2A
SCHEMBL12559604 0.74 MAOA (0.52) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL2495533 0.72 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EPIM1CHEK1
SCHEMBL3774319 0.72 PARP1 (0.53) ALDH1A1HPGDKDM4EPIM1DAO
SCHEMBL1981532 0.72 LTK (0.56) MAOBALDH1A1HPGDKDM4EPIM1
SCHEMBL28891458 0.70 KDM4E (0.42) ALDH1A1HPGDKDM4EPIM1CHEK1
SCHEMBL1284670 0.69 MAOA (0.50) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL4711610 0.69 PDE3B (0.49) ALDH1A1HPGDKDM4EDAOKMT2A
SCHEMBL4429818 0.69 KDR (0.58) MAOBALDH1A1KDM4ECHEK1DAO
SCHEMBL5325398 0.68 MAOA (0.49) MAOBMAOAALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261338-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2004-05-06 EP claimed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP claimed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO claimed
EP-1261338-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2004-05-06 EP disclosed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP disclosed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO disclosed