SCHEMBL8600852

SCHEMBL8600852

CC(C)Sc1ccc2c(=S)cc[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.36
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1E P28566 1/20 0.33
HTR1F P30939 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 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
SCHEMBL8084300 0.83 HTR3E (0.45) RHEBHTR3EHTR3BHTR1AHTR1D
SCHEMBL8604156 0.76 KIF11 (0.47) LMNAHIF1AHTR1DHTR1BHTR2A
SCHEMBL7673837 0.76 MEN1 (0.46) LMNACYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL13230543 0.74 AHR (0.47) LMNACYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL8599075 0.73 MAOA (0.39) RHEBLMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL8602948 0.72 RXFP1 (0.52) SMN1; SMN2HTR2AALDH1A1PSMD14
SCHEMBL8601195 0.71 KMT2A (0.38) LMNASMN1; SMN2ALDH1A1
SCHEMBL8601909 0.70 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8600722 0.70 MAOA (0.43) RHEBSMN1; SMN2
SCHEMBL8603706 0.68 TYR (0.53) LMNASMN1; SMN2HTR2AHTR2CHTR2B

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