SCHEMBL28211344

SCHEMBL28211344

CCCCOc1cccc(F)c1C1=NC(=O)N=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP19A1 P11511 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
FAAH O00519 8/20 0.39
MCHR1 Q99705 1/20 0.37
ELANE P08246 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL28211346 0.81 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19CYP19A1MEN1
SCHEMBL28211347 0.72 CYP2D6 (0.54) CYP1A2CYP2C9CYP2C19CYP19A1TSHR
SCHEMBL16076555 0.70 KCNA3 (0.62) CYP1A2CYP2C9CYP2C19CYP19A1MCHR1
SCHEMBL427889 0.70 L3MBTL1 (0.53) CYP1A2CYP2C9CYP2C19CYP19A1L3MBTL1
SCHEMBL255559 0.69 L3MBTL1 (0.72) CYP1A2CYP2C9CYP2C19CYP19A1L3MBTL1
SCHEMBL27731023 0.69 LMNA (0.58) CYP1A2CYP2C9CYP2C19L3MBTL1FAAH
SCHEMBL9017760 0.69 ELANE (0.67) CYP1A2CYP2C9CYP2C19CYP19A1ELANE
SCHEMBL7176779 0.69 L3MBTL1 (0.53) CYP1A2CYP2C9CYP2C19CYP19A1L3MBTL1
SCHEMBL12648399 0.69 L3MBTL1 (0.51) CYP1A2CYP2C9CYP2C19CYP19A1L3MBTL1
SCHEMBL13696485 0.69 L3MBTL1 (0.51) CYP1A2CYP2C9CYP2C19CYP19A1L3MBTL1

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
CN-107922345-A Arylsulfonamide compounds and its therapeutical uses as carbonic anhydrase inhibitor 圣诺康生命科学公司 2018-04-17 CN claimed
CN-107922345-A Arylsulfonamide compounds and its therapeutical uses as carbonic anhydrase inhibitor 圣诺康生命科学公司 2018-04-17 CN disclosed