SCHEMBL9088463

SCHEMBL9088463

COc1ccc(COC(=O)c2cccc3nnsc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.46
MMP12 P39900 1/20 0.46
DHODH Q02127 2/20 0.45
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
ALDH1A1 P00352 4/20 0.42
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 1/20 0.40
DDX3X O00571 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3746766 0.86 ALDH1A1 (0.54) MMP9MMP1MMP2MMP12DHODH
SCHEMBL9365911 0.79 P2RX7 (0.45) ALDH1A1TDP1KMT2AMAPTCYP3A4
SCHEMBL9088671 0.77 MAPK1 (0.36) ALDH1A1TDP1MAPTTSHRMAPK1
SCHEMBL4203207 0.77 ALDH1A1 (0.55) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL7243970 0.77 PKM (0.37) ALDH1A1MAPTCYP3A4TSHRMAPK1
SCHEMBL8530686 0.76 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMAPTDDX3X
SCHEMBL9085722 0.75 RAB9A (0.43) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL9087425 0.74 ALDH1A1 (0.53) MMP9MMP1MMP2MMP12ALDH1A1
SCHEMBL30996829 0.74 ACHE (0.40) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL30996828 0.74 ACHE (0.40) ALDH1A1TDP1MAPTCYP3A4TSHR

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