SCHEMBL10697123

SCHEMBL10697123

CSSC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TAAR1 Q96RJ0 3/20 0.36
HTR2A P28223 2/20 0.36
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL775058 0.83 TSHR (0.48) SLC6A3TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL3956655 0.80 TSHR (0.46) SLC6A3TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL15235441 0.77 KMT2A (0.41) SLC6A3TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL6076547 0.75 LMNA (0.43) TSHRCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL23957711 0.73 TAAR1 (0.39) CYP2D6DPP4F2TAAR1LMNA
SCHEMBL24023128 0.72 LMNA (0.45) TAAR1HTR2AHRH1LMNATDP1
SCHEMBL24807334 0.72 HTR2A (0.41) SLC6A3TSHRCYP2D6CYP3A4CYP2C9
SCHEMBL776890 0.71 TSHR (0.48) SLC6A3TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL11234861 0.70 ALDH1A1 (0.47) TSHRHTR2AHRH1TDP1L3MBTL1
SCHEMBL3882388 0.70 SLC6A3 (0.42) SLC6A3TSHRCYP2D6CYP1A2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281036-A2 A process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-07 EP disclosed