SCHEMBL9087904

SCHEMBL9087904

O=C(OCc1ccco1)c1cccc2nnsc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.46
MAPK1 P28482 5/20 0.46
ALDH1A1 P00352 7/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.40
CTDSP1 Q9GZU7 2/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.40
APEX1 P27695 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
PKM P14618 1/20 0.39
CNR2 P34972 1/20 0.39
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38

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 0.80 ALDH1A1 (0.54) TDP1MAPK1ALDH1A1LMNAPOLB
SCHEMBL9088671 0.78 MAPK1 (0.36) TDP1MAPK1ALDH1A1POLBL3MBTL1
SCHEMBL9087862 0.78 TSHR (0.53) TDP1MAPK1ALDH1A1POLBL3MBTL1
SCHEMBL7243970 0.78 PKM (0.37) MAPK1ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL9086816 0.76 MAPK1 (0.40) TDP1MAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL9085722 0.76 RAB9A (0.43) MAPK1ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL4203207 0.76 ALDH1A1 (0.55) TDP1MAPK1ALDH1A1LMNAPOLB
SCHEMBL9088463 0.75 MMP9 (0.47) TDP1MAPK1ALDH1A1L3MBTL1MAPT
SCHEMBL9084432 0.75 KMT2A (0.43) TDP1ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL9087787 0.74 CYP3A4 (0.56) MAPK1ALDH1A1LMNAMAPTKDM4E

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