SCHEMBL9487702

SCHEMBL9487702

Cc1ccc(C)c(Sc2ccccc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR1A P08908 10/20 0.45
HTR3A P46098 10/20 0.45
AR P10275 1/20 0.45
SLC6A4 P31645 4/20 0.44
CYP1A2 P05177 2/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44

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
SCHEMBL29823896 0.89 HSD17B10 (0.58) MAPTMEN1KMT2ALMNATP53
SCHEMBL2728633 0.89 HSD17B10 (0.58) MAPTMEN1KMT2ALMNATP53
SCHEMBL13057071 0.87 HTR1A (0.57) MAPTMEN1KMT2ALMNATP53
SCHEMBL9487144 0.86 MAPT (0.44) MAPTMEN1KMT2ALMNATP53
SCHEMBL576094 0.83 ACHE (0.53) HTR1AHTR3AARCYP1A2CYP3A4
SCHEMBL9488946 0.83 HTR1A (0.45) MAPTMEN1KMT2ALMNATP53
Hydrogen Sulfide SCHEMBL11580912 0.81 HTR1A (0.50) HTR1AHTR3AARCYP1A2CYP3A4
SCHEMBL15906499 0.81 HTR1A (0.50) HTR1AHTR3AARCYP1A2CYP3A4
SCHEMBL29031117 0.81 HTR1A (0.55) HPGDHTR1AHTR3AARSLC6A4
Phosphine SCHEMBL29157942 0.81 HTR1A (0.50) HTR1AHTR3AARCYP1A2CYP3A4

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