SCHEMBL9628786

SCHEMBL9628786

CCCCC(CC)CC(N)(CC(CC)CCCC)n1c(=S)sc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 2/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
F12 P00748 1/20 0.31
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10877326 0.79 DRD2 (0.35)
SCHEMBL9628967 0.77 F12 (0.34) ALDH1A1KDM4EHPGDKMT2AF12
SCHEMBL9628527 0.72 ALDH1A1 (0.35) ALDH1A1CA2CYP3A4KDM4EHPGD
SCHEMBL502087 0.69 CYP4Z1 (0.45) ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL21022668 0.67 CYP3A4 (0.49) ALDH1A1CA2CYP3A4HPGDTDP1
SCHEMBL10756591 0.66 CYP4Z1 (0.41) ALDH1A1CYP3A4KDM4EHPGDLMNA
SCHEMBL8030664 0.66 DRD2 (0.52) ALDH1A1HPGDF12
SCHEMBL28221096 0.66 ALDH1A1 (0.43) ALDH1A1CA2CYP3A4KDM4EHPGD
SCHEMBL2230293 0.64 TLR8 (0.38) ALDH1A1KDM4EHPGDKMT2ATSHR
SCHEMBL9628571 0.64 HSD17B10 (0.39) ALDH1A1KDM4EHPGDKMT2AF12

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 5 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
EP-0203033-A2 Amino ethyl derivative of benzothiazolinthion as a lubricant additive CIBA-GEIGY AG (CH) 1986-11-26 EP disclosed