SCHEMBL9627804

SCHEMBL9627804

CCCCCCCCCCCCN(Cn1c(=S)sc2ccccc21)Cn1c(=S)sc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A4 P31645 3/20 0.38
DRD2 P14416 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC6A2 P23975 1/20 0.36
HRH1 P35367 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35

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
SCHEMBL9628979 0.86 ALDH1A1 (0.41) ALDH1A1HTTCYP1A2HPGDHSD17B10
SCHEMBL10663196 0.85 ALDH1A1 (0.40) KCNH2ALDH1A1HTTCYP1A2HPGD
SCHEMBL6741877 0.81 DRD2 (0.53) SLC6A4DRD2SLC6A3CNR1CNR2
SCHEMBL9628861 0.80 GAA (0.38) ALDH1A1HTTHPGDHSD17B10
SCHEMBL9628527 0.79 ALDH1A1 (0.35) ALDH1A1HTTCYP1A2HPGDHSD17B10
SCHEMBL8030664 0.78 DRD2 (0.52) ALDH1A1CYP1A2HPGDHSD17B10SLC6A4
SCHEMBL19284184 0.77 KCNH2 (0.44) KCNH2SLC6A4DRD2SLC6A2HRH1
SCHEMBL9628803 0.77 ALDH1A1 (0.43) ALDH1A1HTTCYP1A2HPGDHSD17B10
SCHEMBL19284183 0.77 KCNH2 (0.44) KCNH2SLC6A4DRD2SLC6A2HRH1
SCHEMBL9629861 0.77 RAB9A (0.40) ALDH1A1CYP1A2HPGDHSD17B10SLC6A4

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