SCHEMBL29009673

SCHEMBL29009673

CC(C)(C)C(=O)N(Cc1ccccc1)c1ccccc1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.46
RIPK1 Q13546 2/20 0.44
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
RECQL P46063 1/20 0.41
HTT P42858 2/20 0.40
TSPO P30536 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
PAX8 Q06710 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
SCHEMBL29009677 0.88 POLB (0.44) POLBMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL29009671 0.87 POLB (0.43) POLBMEN1KMT2ASMN1; SMN2TRPM8
SCHEMBL30758070 0.81 AKT1 (0.47) POLBTRPM8RIPK1CA12CA9
SCHEMBL29009684 0.79 LMNA (0.65) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL28948520 0.78 TRPM8 (0.44) POLBMEN1KMT2ASMN1; SMN2TRPM8
SCHEMBL1951077 0.74 CYP1A2 (0.43) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL28726978 0.74 TRPM8 (0.40) MEN1KMT2ASMN1; SMN2TRPM8CA12
SCHEMBL28705761 0.73 RECQL (0.58) POLBMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL29009648 0.73 KMT2A (0.44) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL17956351 0.72 POLB (0.49) POLBMEN1KMT2ASMN1; SMN2CYP3A4

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