SCHEMBL9694564

SCHEMBL9694564

O=[N+]([O-])c1ccc(O)c(Cn2c(=S)sc3ccccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.51
CTSB P07858 1/20 0.46
PITRM1 Q5JRX3 2/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 5/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PSMD14 O00487 1/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL9804398 0.74 NOX4 (0.37) NOX4CTSBPITRM1MEN1KMT2A
SCHEMBL3472014 0.72 KMT2A (0.63) NOX4CTSBPITRM1MEN1KMT2A
SCHEMBL6675322 0.69 KDM4E (0.59) NOX4CTSBMEN1KMT2ARAB9A
SCHEMBL9694885 0.68 ALDH1A1 (0.39) MEN1KMT2ARAB9AGAAL3MBTL1
SCHEMBL51277 0.67 GPR35 (0.60) NOX4CTSBMEN1KMT2AGAA
SCHEMBL7544776 0.67 MAPT (0.67) MEN1KMT2ARAB9AGAAL3MBTL1
SCHEMBL14572673 0.67 ALDH1A1 (0.38) MEN1KMT2ARAB9AGAAL3MBTL1
SCHEMBL11780045 0.66 L3MBTL1 (0.65) MEN1KMT2AGAAL3MBTL1MAPT
SCHEMBL4231830 0.66 ALDH1A1 (0.58) NOX4CTSBMEN1KMT2AGAA
SCHEMBL216753 0.66 GPR35 (0.58) NOX4CTSBPITRM1MEN1KMT2A

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