SCHEMBL27224623

SCHEMBL27224623

CC(=O)Nc1nccc(CO)c1F.CS(=O)(=O)O

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
PRNP P04156 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3C3 Q8NEB9 7/20 0.34
TGFBR1 P36897 4/20 0.33
TGFBR2 P37173 2/20 0.33
ALDH1A1 P00352 2/20 0.33
S100A4 P26447 1/20 0.33

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
SCHEMBL29425410 1.00 L3MBTL1 (0.36) L3MBTL1GAAKDM4EMEN1PRNP
SCHEMBL23694234 0.94 MEN1 (0.38) L3MBTL1GAAKDM4EMEN1PRNP
SCHEMBL28821088 0.82 TGFBR1 (0.36) L3MBTL1GAAKDM4EMEN1PRNP
SCHEMBL24849370 0.80 PIK3CA (0.34) L3MBTL1GAAKDM4EMEN1PRNP
SCHEMBL31320125 0.77 ABL1 (0.44)
SCHEMBL23693813 0.76 ALDH1A1 (0.39) L3MBTL1GAAKDM4EMEN1PRNP
SCHEMBL31166758 0.75 AAK1 (0.43) L3MBTL1
SCHEMBL31167003 0.74 TSHR (0.41) MEN1POLBKMT2APIK3C3
SCHEMBL31320119 0.74 MAPK1 (0.37)
SCHEMBL25188717 0.72 TGFBR1 (0.39) L3MBTL1GAAKDM4EMEN1PRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4375273-A1 METHOD FOR PRODUCING ARYLAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-29 EP disclosed
CN-117677607-A Process for producing aryl amide derivative 中外制药株式会社 2024-03-08 CN disclosed
CN-115803024-A Composition comprising arylamide derivatives 中外制药株式会社 2023-03-14 CN disclosed
CN-114929669-A Arylamide derivatives having antitumor activity 中外制药株式会社 2022-08-19 CN disclosed