SCHEMBL28972437

SCHEMBL28972437

C/C(=C\c1ccc(-c2ccc(C#N)c(Cl)c2)s1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SLC22A12 Q96S37 2/20 0.40
CASP1 P29466 1/20 0.39
APP P05067 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
EIF4E P06730 1/20 0.37
CYP11B2 P19099 1/20 0.36
AR P10275 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
NR3C2 P08235 1/20 0.35
TBXAS1 P24557 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
SCHEMBL28972539 0.91 CASP1 (0.42) MAPTSLC22A12CASP1APPKDM4E
SCHEMBL28972536 0.85 CYP11B2 (0.44) MAPTSLC22A12APPCYP11B2
SCHEMBL28972462 0.83 RXRA (0.49) MAPTAR
SCHEMBL28972700 0.81 EIF4E (0.42) SLC22A12CASP1EIF4ECYP11B2AR
SCHEMBL30112143 0.80 MAPT (0.47) MAPTSLC22A12CASP1APPKDM4E
SCHEMBL28972449 0.76 CYP11B2 (0.43) MAPTSLC22A12APPCYP11B2
SCHEMBL28972688 0.76 EGLN2 (0.39) MAPTSLC22A12EIF4ECYP11B2AR
SCHEMBL30112089 0.75 MAPT (0.45) MAPTAPPKDM4EARTBXAS1
SCHEMBL28972519 0.75 MAPT (0.45) MAPTAPPKDM4EARTBXAS1
SCHEMBL28972461 0.74 AR (0.45) APPAR

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-110016011-B Amide derivative and medical use thereof 北京美倍他药物研究有限公司 2023-02-03 CN disclosed