SCHEMBL9426532

SCHEMBL9426532

NC(=O)Sc1cccc2nnsc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ILK Q13418 2/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 5/20 0.32
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NSD2 O96028 1/20 0.30
NPC1 O15118 3/20 0.30
RAB9A P51151 3/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL3752215 0.85 MAPT (0.33) MEN1KMT2ATHRBMAPTTP53
SCHEMBL9368369 0.75 MAPT (0.35) MEN1KMT2ATHRBMAPTTP53
SCHEMBL3743974 0.75 PARP1 (0.40) MEN1KMT2AILKMAPTTP53
SCHEMBL7059454 0.71 MEN1 (0.38) MEN1KMT2AILKTHRBMAPT
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL2455715 0.69 ALDH1A1 (0.44) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL9363329 0.69 SMN1; SMN2 (0.39) MEN1KMT2AILKMAPTTP53
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL9084433 0.68 ALDH1A1 (0.43) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL9363650 0.68 ASH1L (0.33) MAPTTP53SMN1; SMN2
SCHEMBL8051642 0.68 MAPT (0.45) MEN1KMT2ATHRBMAPTTP53
SCHEMBL7555956 0.68 MAPT (0.39) MEN1KMT2ATHRBMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304652-A Benzo-1,2,3-thiadiazole derivatives; fungicides CIBA-GEIGY CORPORATION (US) 1994-04-19 US disclosed
US-5229384-A Microbiocides CIBA-GEIGY CORPORATION (US) 1993-07-20 US disclosed