SCHEMBL9084432

SCHEMBL9084432

O=C(OCc1cccc2ccccc12)c1cccc2nnsc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.42
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
EPHX1 P07099 1/20 0.40
HPGD P15428 2/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CDC25B P30305 2/20 0.40
CACNA1B Q00975 2/20 0.39
APBA1 Q02410 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39

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 0.81 ALDH1A1 (0.54) KMT2ANPC1RAB9ATSHRL3MBTL1
SCHEMBL9085722 0.77 RAB9A (0.43) HPGDNPC1RAB9ATSHRHSD17B10
SCHEMBL7243970 0.77 PKM (0.37) PKMNPC1TSHRHSD17B10MAPT
SCHEMBL9087862 0.77 TSHR (0.53) KMT2AMEN1MAPK10HPGDRAB9A
SCHEMBL9087904 0.75 TDP1 (0.46) PKMHPGDTSHRHSD17B10MAPT
SCHEMBL9088671 0.75 MAPK1 (0.36) PKMTSHRHSD17B10MAPTL3MBTL1
SCHEMBL4203207 0.75 ALDH1A1 (0.55) TSHRHSD17B10MAPTL3MBTL1KDM4E
SCHEMBL9087425 0.74 ALDH1A1 (0.53) HPGDNPC1RAB9ATSHRHSD17B10
SCHEMBL9088463 0.74 MMP9 (0.47) KMT2AMEN1CACNA1BAPBA1TSHR
SCHEMBL2450013 0.74 MAPT (0.36) KMT2AMEN1PKMNPC1RAB9A

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