SCHEMBL9089945

SCHEMBL9089945

CC(C)OC(=O)c1cccc2nnsc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA7 P43166 5/20 0.42
CA9 Q16790 5/20 0.42
CA14 Q9ULX7 5/20 0.42
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
PDK2 Q15119 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL9088391 0.87 ADRA1A (0.41) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL9085909 0.85 ALDH1A1 (0.43) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL9366176 0.83 ALDH1A1 (0.38) NPC1KMT2ARAB9AALDH1A1HPGD
SCHEMBL9365793 0.81 MAPT (0.37) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL8051642 0.81 MAPT (0.45) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL6964915 0.80 MAPT (0.35) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL9087618 0.79 MAPT (0.35) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL9087862 0.79 TSHR (0.53) MEN1KMT2ARAB9ACA12CA1
SCHEMBL7183586 0.79 MAPT (0.37) NPC1RAB9AMAPTSMN1; SMN2TP53
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL8588144 0.78 MAPT (0.45) NPC1MEN1KMT2ARAB9AMAPT

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