SCHEMBL31084656

SCHEMBL31084656

COc1ccc(-c2csc(N)n2)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
NPC1 O15118 6/20 0.72
RAB9A P51151 6/20 0.72
LMNA P02545 3/20 0.72
RECQL P46063 1/20 0.72
ALDH1A1 P00352 8/20 0.71
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
POLB P06746 2/20 0.71
MAPK1 P28482 2/20 0.71
NFKB1 P19838 2/20 0.71
NFKB2 Q00653 2/20 0.71
RELA Q04206 2/20 0.71
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
KDM4E B2RXH2 2/20 0.48
TUBB4A P04350 1/20 0.47

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
SCHEMBL3134094 1.00 MAPT (0.72) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL25239669 0.86 MAPT (0.81) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7369499 0.82 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3593375 0.81 MEN1 (0.57) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL427925 0.80 MEN1 (0.75) MAPTSMN1; SMN2NPC1RAB9ARECQL
SCHEMBL8357836 0.80 MAPT (0.59) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL25279844 0.80 RAB9A (0.59) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL12190708 0.79 RAB9A (0.59) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL25288808 0.79 RAB9A (0.73) MAPTSMN1; SMN2NPC1RAB9ALMNA
Bromide SCHEMBL8360766 0.79 NPC1 (0.73) MAPTSMN1; SMN2NPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118574812-A Benzenesulfonamide thiazole compounds and their use for the treatment of cancer 国家医疗保健研究所 2024-08-30 CN disclosed