SCHEMBL8049666

SCHEMBL8049666

O=Cc1c(Cl)ccc2nnsc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BAZ1A Q9NRL2 1/20 0.36
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ERN1 O75460 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
S1PR4 O95977 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
S1PR1 P21453 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL19738041 0.80 ERN1 (0.45) MEN1KMT2AKDM4EL3MBTL1ERN1
SCHEMBL8049847 0.79 NPC1 (0.32) MEN1KMT2AERN1NPC1RAB9A
SCHEMBL3704781 0.78 ALDH1A1 (0.38) ALDH1A1TDP1MEN1KMT2ABAZ1A
SCHEMBL8039228 0.75 ERN1 (0.38) ALDH1A1TDP1KMT2AKDM4EL3MBTL1
SCHEMBL8050518 0.75
SCHEMBL543477 0.70 CYP2A6 (0.43) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL30600426 0.68 ALDH1A1 (0.68) ALDH1A1TDP1MEN1KMT2AERN1
SCHEMBL9668093 0.68 BAZ1A (0.40) ALDH1A1MEN1KMT2ABAZ1AKDM4E
SCHEMBL8051694 0.68
SCHEMBL9666635 0.68 BAZ1A (0.33) ALDH1A1BAZ1AKDM4EL3MBTL1

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