SCHEMBL9087330

SCHEMBL9087330

O=C(NNc1ccccc1)c1cccc2nnsc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.49
ALDH1A1 P00352 5/20 0.49
PTGS2 P35354 2/20 0.45
MAPT P10636 6/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX12 P18054 2/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 4/20 0.43
F2 P00734 1/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.41
MMP14 P50281 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL9087580 0.86 LMNA (0.51) ALDH1A1MAPTCYP3A4ALOX12CYP2C9
SCHEMBL6971403 0.78 THRB (0.51) GAAALDH1A1MAPTCYP2C9HPGD
SCHEMBL6971401 0.78 MAPT (0.39) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4031502 0.78 GAA (0.44) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL9088426 0.77 MLLT1 (0.46) GAAALDH1A1HPGDKMT2ALMNA
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL2455715 0.77 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9087573 0.76 MLLT1 (0.45) GAAALDH1A1MAPTHPGDKMT2A
SCHEMBL9668606 0.75 MEN1 (0.40) GAAALDH1A1MAPTHPGDPOLB
SCHEMBL8335993 0.74 MAPT (0.38) ALDH1A1MAPTCYP2C19POLBKMT2A
SCHEMBL9084104 0.74 HDAC3 (0.53) ALDH1A1HTT

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