SCHEMBL6535605

SCHEMBL6535605

Cc1ccc(-n2ccccc2=O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCD O00767 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 2/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL22148817 0.71 MET (0.36) ALDH1A1HPGDSCDKDM4EHSD17B10
SCHEMBL9471238 0.69 TSHR (0.46) F10ALDH1A1HPGDMAPTKMT2A
SCHEMBL8932233 0.69 HTR2C (0.47) ALDH1A1MAPTCA12CA9BRD4
SCHEMBL92819 0.68 KDM4E (0.57) F10ALDH1A1HPGDMAPTRECQL
SCHEMBL11996677 0.68 CA12 (0.41) ALDH1A1HPGDMAPTKMT2ATHRB
SCHEMBL31510692 0.68 CA12 (0.40) F10ALDH1A1HPGDMAPTSCD
SCHEMBL6535564 0.67 HSD17B10 (0.39) F10ALDH1A1HPGDMAPTKMT2A
SCHEMBL12892636 0.67 CYP3A4 (0.40) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL16104143 0.67 MGLL (0.48) ALDH1A1HPGDMAPTKMT2ANPSR1
SCHEMBL17059032 0.67 COMT (0.49) ALDH1A1HPGDMAPTTHRBKDM4E

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