SCHEMBL9084604

SCHEMBL9084604

CCCCOC(=O)c1cccc2nnsc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPK1 P28482 4/20 0.54
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 6/20 0.51
LMNA P02545 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
TRPA1 O75762 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DDX3X O00571 1/20 0.43
ESR1 P03372 1/20 0.41
CYP2D6 P10635 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41

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
SCHEMBL9087303 0.96 MAPK1 (0.59) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL4203207 0.92 ALDH1A1 (0.55) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL9086720 0.88 MAPK1 (0.43) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL9087862 0.86 TSHR (0.53) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL9086816 0.84 MAPK1 (0.40) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL30996828 0.83 ACHE (0.40) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL30996829 0.83 ACHE (0.40) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL9088671 0.81 MAPK1 (0.36) TSHRL3MBTL1TDP1MAPK1TP53
SCHEMBL9087425 0.81 ALDH1A1 (0.53) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL9229370 0.80 TSHR (0.40) TSHRL3MBTL1TDP1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190928-A Benzo-1,2,3-thiadiazoles CIBA-GEIGY CORPORATION (US) 1993-03-02 US claimed
EP-0313512-B1 BENZOTHIADIAZOLES AND THEIR USE IN PROCESSES AND COMPOSITIONS AGAINST PLANT DISEASES CIBA-GEIGY AG (CH) 1992-11-25 EP claimed
EP-0313512-A2 Benzothiadiazoles and their use in processes and compositions against plant diseases CIBA-GEIGY AG (CH) 1989-04-26 EP claimed
US-5523311-A CARBONYLOXY OR THIOCARBONYL-BENZO-1,2,3-THIADIAZOLE DERIVATIVES USED AS CHEMICAL ACTIVATOR TO STIMULATE PLANTS CAPACITY TO DEFEND ITSELF AGAINST MICROBIAL INFECTIONS CIBA-GEIGY CORPORATION (US) 1996-06-04 US disclosed
US-5190928-A Benzo-1,2,3-thiadiazoles CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
EP-0313512-B1 BENZOTHIADIAZOLES AND THEIR USE IN PROCESSES AND COMPOSITIONS AGAINST PLANT DISEASES CIBA-GEIGY AG (CH) 1992-11-25 EP disclosed
US-4931581-A CHEMICAL INTERMEDIATES FOR 1,2,3-BENZOTHIADIAZOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
EP-0313512-A2 Benzothiadiazoles and their use in processes and compositions against plant diseases CIBA-GEIGY AG (CH) 1989-04-26 EP disclosed