SCHEMBL9628810

SCHEMBL9628810

CCCCCCCCCCCCc1ccc(C(N)n2c(=S)sc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
KCNH2 Q12809 1/20 0.37
S1PR1 P21453 6/20 0.36
TNNC1 P63316 5/20 0.36
S1PR3 Q99500 4/20 0.36
S1PR4 O95977 3/20 0.36
SGPL1 O95470 1/20 0.36
GPR183 P32249 1/20 0.36
CERS2 Q96G23 1/20 0.36
S1PR5 Q9H228 1/20 0.36
S1PR2 O95136 4/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9627676 0.76 HTR2A (0.41) HTR2AKCNH2S1PR1TNNC1S1PR3
SCHEMBL9628818 0.73 ALDH1A1 (0.46) HTR2AKCNH2S1PR1S1PR3S1PR4
SCHEMBL30469503 0.68 HTR2A (0.62) HTR2AS1PR1TNNC1S1PR3S1PR4
SCHEMBL6861225 0.68 HTR2A (0.62) HTR2AS1PR1TNNC1S1PR3S1PR4
SCHEMBL11664454 0.67 HTR2A (0.66) HTR2AS1PR1TNNC1S1PR3S1PR4
SCHEMBL12502918 0.67 HTR2A (0.66) HTR2AS1PR1TNNC1S1PR3S1PR4
SCHEMBL1313200 0.67 HTR2A (0.60) HTR2AS1PR1TNNC1S1PR3S1PR4
SCHEMBL9945668 0.67 HTR2A (0.60) HTR2AS1PR1TNNC1S1PR3S1PR4
SCHEMBL1009348 0.67 HTR2A (0.60) HTR2AS1PR1TNNC1S1PR3S1PR4
Hydrochloric Acid SCHEMBL27921087 0.66 HTR2A (0.64) HTR2AS1PR1TNNC1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0203033-B1 AMINO ETHYL DERIVATIVE OF BENZOTHIAZOLINTHION AS A LUBRICANT ADDITIVE CIBA-GEIGY AG (CH) 1992-03-11 EP disclosed
US-4810399-A FRICTION, WEAR, CORROSION AND OXIDATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1989-03-07 US disclosed
US-4803001-A RESISTANT TO FRICTION, WEAR, CORROSION AND OXIDATION CIBA-GEIGY CORPORATION (US) 1989-02-07 US disclosed
US-4737302-A Aminomethyl derivatives of benzothiazolinethione as lubricant additives CIBA-GEIGY CORPORATION (US) 1988-04-12 US disclosed