SCHEMBL29009684

SCHEMBL29009684

CC(C)(Oc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)c1ccccc1I

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
PPARA Q07869 8/20 0.48
PPARG P37231 5/20 0.48
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
CNR1 P21554 5/20 0.43
FABP2 P12104 2/20 0.42
SLC22A12 Q96S37 1/20 0.42
ABCB11 O95342 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
CYP2C9 P11712 1/20 0.42
CNR2 P34972 4/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL29009673 0.79 POLB (0.56) CYP3A4CYP2C19KMT2AMEN1CYP2C9
SCHEMBL1951077 0.77 CYP1A2 (0.43) LMNACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL29009677 0.76 POLB (0.44) CYP2C19KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12545455 0.76 LMNA (0.39) LMNAPPARAPPARGCYP1A2CYP3A4
SCHEMBL29837172 0.76 LMNA (0.39) LMNAPPARAPPARGCYP1A2CYP3A4
SCHEMBL29009671 0.75 POLB (0.43) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL30758070 0.73 AKT1 (0.47)
SCHEMBL11448992 0.71 PPARA (0.62) LMNAPPARAPPARGCYP1A2CYP3A4
SCHEMBL11569812 0.69 PPARA (0.62) LMNAPPARAPPARGCYP1A2CYP3A4
SCHEMBL1951078 0.68 HTT (0.43) LMNACYP1A2CYP3A4CYP2C19MAPT

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-115010564-B Preparation method of o-iodophenyl compound 苏州大学 2024-03-19 CN disclosed
CN-115010564-A Preparation method of o-iodophenyl compound 苏州大学 2022-09-06 CN disclosed