SCHEMBL9628515

SCHEMBL9628515

NC(C1CCCCC1)(C1CCCCC1)n1c(=S)sc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 2/20 0.32
ALOX15 P16050 2/20 0.32
FPR1 P21462 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9628571 0.70 HSD17B10 (0.39) DRD2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL9628967 0.67 F12 (0.34) DRD2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL9628523 0.66 DRD2 (0.52) DRD2SLC6A4SLC6A3ALDH1A1HSD17B10
SCHEMBL9629848 0.64 RAB9A (0.35) ALDH1A1RAB9ATSHRCYP3A4POLB
SCHEMBL11983129 0.64 SIGMAR1 (0.39) DRD2SLC6A4SLC6A3TSHRCYP3A4
SCHEMBL10604337 0.63 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4MEN1POLB
SCHEMBL13657451 0.61 ALDH1A1 (0.40) DRD2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL11783847 0.60 ALDH1A1 (0.44) DRD2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL9628249 0.58 DRD2 (0.51) DRD2SLC6A4SLC6A3ALDH1A1HSD17B10
SCHEMBL29013451 0.57 ALDH1A1 (0.50) ALDH1A1RAB9ATSHRCYP3A4MEN1

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 3 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-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