SCHEMBL8050376

SCHEMBL8050376

O=C(O)Cc1cccc2nnsc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
CXCL8 P10145 5/20 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
SCHEMBL17468807 0.79 MAPT (0.39) TDP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL543282 0.79 APOBEC3G (0.32) KDM4EMAPTALDH1A1
SCHEMBL8049471 0.75 MAPT (0.33) TDP1MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL8051660 0.75 CYP1A2 (0.43) TDP1KDM4ECYP1A2MAPTMEN1
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL2455715 0.74 ALDH1A1 (0.44) TDP1KDM4ECYP1A2MAPTMEN1
SCHEMBL3714628 0.73 MAPK9 (0.47) AKR1B1TDP1KDM4ECYP1A2MAPT
SCHEMBL8049797 0.71 HTT (0.35) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL27848468 0.71 TDP1 (0.44) AKR1B1TDP1KDM4ECYP1A2MAPT
SCHEMBL3752215 0.70 MAPT (0.33) KDM4ECYP1A2MAPTMEN1ALDH1A1
SCHEMBL9368369 0.70 MAPT (0.35) KDM4EMAPTMEN1ALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502473-B1 Microbicidal benzo-1,2,3-thiadiazole derivatives NOVARTIS AG (CH) 2000-04-26 EP disclosed
US-5384321-A Benzothiadiazole compounds CIBA-GEIGY CORPORATION (US) 1995-01-24 US disclosed
US-5260423-A Fungicide, viricide or bactericide CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0502473-A1 Microbicidal benzo-1,2,3-thiadiazole derivatives CIBA-GEIGY AG (CH) 1992-09-09 EP disclosed