SCHEMBL9488559

SCHEMBL9488559

Cc1cccc(Sc2c(C)ccc(C)c2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
HTR1A P08908 2/20 0.38
HTR3A P46098 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.38
GRM5 P41594 1/20 0.37
AR P10275 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
GFER P55789 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ICAM1 P05362 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
SCHEMBL9488631 0.86 AR (0.46) ACHEHTR1AHTR3ASMN1; SMN2IDO1
SCHEMBL9487108 0.82 TUBB4A (0.33) IDO1ARNOTUMALDH1A1
SCHEMBL13915410 0.80 AR (0.45) ACHEHTR1AHTR3ASMN1; SMN2IDO1
SCHEMBL9488094 0.79 ALDH1A1 (0.39) SMN1; SMN2HPGDMAPTKDM4EL3MBTL1
SCHEMBL575896 0.79 ACHE (0.58) ACHEHTR1AHTR3ASMN1; SMN2IDO1
SCHEMBL29543680 0.79 ACHE (0.58) ACHEHTR1AHTR3ASMN1; SMN2IDO1
SCHEMBL29468631 0.79 ACHE (0.58) ACHEHTR1AHTR3ASMN1; SMN2IDO1
SCHEMBL10348868 0.78 ACHE (0.46) ACHEHTR1AHTR3ASMN1; SMN2IDO1
SCHEMBL9488050 0.77 HTR1A (0.48) ACHEHTR1AHTR3ASMN1; SMN2IDO1
SCHEMBL12792017 0.76 ACHE (0.44) ACHEHTR1AHTR3ASMN1; SMN2IDO1

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-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 EP disclosed