SCHEMBL11227010

SCHEMBL11227010

ClCc1ccccc1SCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRG P23470 5/20 0.61
PTPRC P08575 4/20 0.48
MAPT P10636 3/20 0.48
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IDO1 P14902 2/20 0.44
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPY1R P25929 1/20 0.43

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
SCHEMBL9507471 0.77 POLB (0.61) PTPRGPTPRCMAPTL3MBTL1MEN1
SCHEMBL11380082 0.77 PTPRG (0.58) PTPRGPTPRCMAPTL3MBTL1CYP1A2
SCHEMBL11478443 0.76 HTR1A (0.50) PTPRGSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL11702592 0.75 PTPRG (0.47) PTPRGPTPRCMAPTSLC6A2SLC6A4
SCHEMBL11222844 0.75 CYP11B1 (0.48) PTPRGMAPTCYP1A2CYP2D6OPRK1
Hydrochloric Acid SCHEMBL11249222 0.74 PTPRG (0.46) PTPRGPTPRCMAPTSLC6A2SLC6A4
SCHEMBL11705494 0.72 CYP1A2 (0.56) MAPTCYP1A2KMT2ANPSR1SMN1; SMN2
SCHEMBL11227346 0.72 POLB (0.59) PTPRGPTPRCMAPTCYP1A2CYP2D6
SCHEMBL9232779 0.72 PTPRG (0.76) PTPRGPTPRCMAPTL3MBTL1MEN1
SCHEMBL23709607 0.71 RHEB (0.53) PTPRGPTPRCMAPTCYP1A2CYP2D6

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
EP-0065974-A1 ANTIDANDRUFF AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1982-12-08 EP disclosed
WO-1982001819-A1 ANTIDANDRUFF AGENT STREHLKE PETER 1982-06-10 WO disclosed