SCHEMBL28577702

SCHEMBL28577702

O=S(=O)(Nc1ccccn1)c1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
KDM4E B2RXH2 4/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CNR1 P21554 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
CCKAR P32238 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
BRD4 O60885 1/20 0.44

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
SCHEMBL29700986 0.77 CA2 (0.57) CA2CNR1CCKAR
SCHEMBL10467765 0.75 ALDH1A1 (0.56) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL2614665 0.74 CNR1 (0.54) CA2CNR1CCKAR
SCHEMBL4238494 0.73 CA2 (0.61) CA2CNR1CCKARBRD4
SCHEMBL30437414 0.73 CA2 (0.66) CA2KDM4ECNR1MAPK1CCKAR
Hydrochloric Acid SCHEMBL2114102 0.73 CNR1 (0.53) CA2CNR1CCKAR
SCHEMBL5135088 0.73 KDM4E (0.60) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL3374110 0.71 KDM4E (0.62) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL7242222 0.71 APAF1 (0.64) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL28568569 0.70 CA2 (0.71) CA2KDM4ECNR1BRD4

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-112292375-A Substituted alkoxypyridylindolesulfonamides 优时比制药有限公司 2021-01-29 CN disclosed