SCHEMBL9694780

SCHEMBL9694780

Cc1cc(Cn2c(=S)sc3ccccc32)cc(C2CCCCC2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
USP2 O75604 1/20 0.32
GLA P06280 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
SCHEMBL9692934 0.92 DRD2 (0.46) DRD2SLC6A4SLC6A3LMNATSHR
SCHEMBL9694146 0.87 DRD2 (0.40) DRD2SLC6A4SLC6A3LMNATSHR
SCHEMBL9694960 0.84 L3MBTL1 (0.42) DRD2SLC6A4SLC6A3LMNATSHR
SCHEMBL9694390 0.77 F2R (0.39) LMNATSHRHTTALDH1A1CYP1A2
SCHEMBL9694913 0.77 L3MBTL1 (0.39) LMNATSHRHTTALDH1A1CYP1A2
SCHEMBL10565334 0.76 PDE5A (0.39) LMNACYP1A2SMN1; SMN2KDM4EMEN1
SCHEMBL10566223 0.75 PDE5A (0.38) LMNACYP1A2SMN1; SMN2KDM4EMEN1
SCHEMBL10564840 0.75 PDE5A (0.38) LMNACYP1A2SMN1; SMN2KDM4EMEN1
SCHEMBL9694765 0.74 ALOX5 (0.42) LMNATSHRHTTALDH1A1CYP1A2
SCHEMBL9694157 0.74 TSHR (0.54) LMNATSHRHTTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169950-A Reacting a 2-mercaptobenzothiazole, acarbonyl and a phenol; basic catalyst; polar solvent CIBA-GEIGY CORPORATION (US) 1992-12-08 US disclosed
US-5097039-A Coating, lubricants CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-5069805-A OIL ADDITIVES CIBA-GEIGY CORPORATION (US) 1991-12-03 US disclosed
EP-0259254-B1 PHENOLIC BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS CORROSION INHIBITORS CIBA-GEIGY AG (CH) 1991-04-17 EP disclosed
US-4894091-A PROTECTIVE COATINGS, PHOTOSTABILIZERS, HEAT RESISTANCE CIBA-GEIGY CORPORATION (US) 1990-01-16 US disclosed
EP-0259254-A1 Phenolic benzothiazole derivatives and their use as corrosion inhibitors CIBA-GEIGY AG (CH) 1988-03-09 EP disclosed