SCHEMBL9628571

SCHEMBL9628571

NC(c1ccccc1)(c1ccccc1)n1c(=S)sc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
KCNN4 O15554 1/20 0.34
CHEK1 O14757 1/20 0.34
PDGFRA P16234 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
F12 P00748 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 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
SCHEMBL9627661 0.73 CNR1 (0.34) HSD17B10ALDH1A1CYP1A2HPGDMEN1
SCHEMBL9628967 0.72 F12 (0.34) HSD17B10ALDH1A1CYP1A2HPGDGAA
SCHEMBL9628515 0.70 DRD2 (0.43) HSD17B10ALDH1A1CYP1A2HPGDMEN1
SCHEMBL9629848 0.69 RAB9A (0.35) HSD17B10ALDH1A1CYP1A2HPGDGAA
SCHEMBL13657451 0.66 ALDH1A1 (0.40) HSD17B10ALDH1A1CYP1A2HPGDGAA
SCHEMBL230331 0.66 F12 (0.59) ALDH1A1CYP1A2GAAMEN1KMT2A
SCHEMBL11783847 0.66 ALDH1A1 (0.44) HSD17B10ALDH1A1CYP1A2HPGDGAA
SCHEMBL9628823 0.64 SLC6A4 (0.39) HSD17B10ALDH1A1CYP1A2HPGDGAA
SCHEMBL19514739 0.64 ALDH1A1 (0.47) HSD17B10ALDH1A1CYP1A2HPGDGAA
SCHEMBL11780045 0.63 L3MBTL1 (0.65) HSD17B10ALDH1A1CYP1A2HPGDGAA

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