SCHEMBL29009671

SCHEMBL29009671

CC(C)(C(=O)N(Cc1ccccc1)c1ccccc1I)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
RIPK1 Q13546 2/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
HTT P42858 2/20 0.38
TSPO P30536 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MLYCD O95822 1/20 0.36
RECQL P46063 1/20 0.36

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 0.87 POLB (0.56) POLBTRPM8RIPK1CA12CA9
SCHEMBL29009677 0.84 POLB (0.44) POLBTRPM8RIPK1CA12CA9
SCHEMBL30758070 0.78 AKT1 (0.47) POLBTRPM8RIPK1CA12CA9
SCHEMBL29009684 0.75 LMNA (0.65) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL28948520 0.74 TRPM8 (0.44) POLBTRPM8CA12CA9KMT2A
SCHEMBL29837136 0.71 NR1H4 (0.43) KMT2ANR1H4MEN1RAB9A
SCHEMBL1951077 0.71 CYP1A2 (0.43) TRPM8KMT2AMAPTHTTMEN1
SCHEMBL28726978 0.70 TRPM8 (0.40) TRPM8CA12CA9KMT2AHTT
SCHEMBL29009648 0.70 KMT2A (0.44) TRPM8CA12CA9KMT2AMEN1
SCHEMBL12545455 0.69 LMNA (0.39) HTTRAB9AALDH1A1

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