SCHEMBL9087697

SCHEMBL9087697

COC(=O)c1c(F)ccc2nnsc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
NSD2 O96028 2/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
THRB P10828 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL8057091 0.82 BAZ1A (0.41) MAPTNSD2POLBBLMTHRB
SCHEMBL9088493 0.81 NPC1 (0.37) MAPTPOLBTHRBNPC1RAB9A
SCHEMBL23856764 0.74 CA1 (0.54) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL30047280 0.74 CA1 (0.54) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL8783642 0.70 ALDH1A1 (0.37) MAPTPOLBSMN1; SMN2ALDH1A1TP53
SCHEMBL3518044 0.69 CA12 (0.48) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL3815462 0.69 MAPT (0.40) MAPTNPC1SMN1; SMN2ALDH1A1CA12
SCHEMBL4277300 0.69 THRB (0.68) MAPTPOLBBLMTHRBNPC1
SCHEMBL31258323 0.69 THRB (0.68) MAPTPOLBBLMTHRBNPC1
SCHEMBL8466456 0.69 LCK (0.56) MAPTNSD2POLBBLMTHRB

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