SCHEMBL8602948

SCHEMBL8602948

Cc1ccc2c(=S)cc[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.52
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 1/20 0.42
KIF11 P52732 2/20 0.41
NR4A2 P43354 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 1/20 0.36
PSMB8 P28062 1/20 0.35
KEAP1 Q14145 1/20 0.35
PSMD14 O00487 1/20 0.35

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
SCHEMBL12663454 0.78 ALDH1A1 (0.41) RXFP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL8084300 0.77 HTR3E (0.45) RXFP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL8604156 0.77 KIF11 (0.47) ALDH1A1KDM4EGAAHTR2AKIF11
SCHEMBL8603706 0.76 TYR (0.53) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL12663392 0.76 ALDH1A1 (0.63) RXFP1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8603460 0.76 KMT2A (0.58) RXFP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL8604154 0.76 KDM4E (0.41) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL8600219 0.73 MAOA (0.43) RXFP1ALDH1A1KDM4EMAPTKIF11
SCHEMBL8600177 0.73 MAOA (0.46) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL8601195 0.72 KMT2A (0.38) RXFP1ALDH1A1KDM4EMAPTHPGD

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
US-5773449-A BACTERICIDES FOR HELICOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1998-06-30 US disclosed
EP-0786454-A1 THIOQUINOLONE DERIVATIVE ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1997-07-30 EP disclosed