SCHEMBL9085909

SCHEMBL9085909

CC(OC(=O)c1cccc2nnsc12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCAR2 Q8TDS4 1/20 0.40
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRA6 Q16445 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
GPR139 Q6DWJ6 3/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRE P78334 1/20 0.35

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
SCHEMBL9089945 0.85 NPC1 (0.44) ALDH1A1TP53HSD17B10KDM4EMAPT
SCHEMBL9366176 0.82 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AKMT2AHPGD
SCHEMBL9088391 0.82 ADRA1A (0.41) ALDH1A1HSD17B10GABRA1GABRG2GABRB3
SCHEMBL9369537 0.81 TSHR (0.43) ALDH1A1TP53HSD17B10MAPTGPR139
SCHEMBL9365793 0.81 MAPT (0.37) ALDH1A1TP53HSD17B10KDM4EMAPT
SCHEMBL9366399 0.80 PRMT3 (0.39) ALDH1A1HSD17B10KDM4ELMNABAZ1A
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL8588144 0.76 MAPT (0.45) ALDH1A1TP53HSD17B10KDM4EMAPT
SCHEMBL6964915 0.75 MAPT (0.35) ALDH1A1TP53MAPTNPC1MEN1
SCHEMBL9087618 0.74 MAPT (0.35) ALDH1A1TP53KDM4EMAPTNPC1
SCHEMBL7183586 0.74 MAPT (0.37) ALDH1A1TP53MAPTNPC1RAB9A

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