SCHEMBL29009672

SCHEMBL29009672

O=C(C1=CCCCC1)N(Cc1ccccc1)c1ccccc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
EPHX1 P07099 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 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
SCHEMBL1951077 0.71 CYP1A2 (0.43) TRPM8ALDH1A1MEN1KMT2ANPC1
SCHEMBL29009673 0.70 POLB (0.56) TRPM8CA12CA9ALDH1A1MEN1
SCHEMBL3455049 0.69 TSHR (0.50) ALDH1A1HPGDEPHX1MEN1KMT2A
SCHEMBL28948520 0.69 TRPM8 (0.44) TRPM8CA12CA9ALDH1A1MEN1
SCHEMBL8479323 0.68 TDP1 (0.53) CA12CA9ALDH1A1HPGDKMT2A
SCHEMBL29009677 0.68 POLB (0.44) TRPM8CA12CA9ALDH1A1MEN1
SCHEMBL28726978 0.68 TRPM8 (0.40) TRPM8CA12CA9ALDH1A1MEN1
SCHEMBL29009648 0.67 KMT2A (0.44) TRPM8CA12CA9ALDH1A1MEN1
SCHEMBL5753145 0.67 ALDH1A1 (0.50) ALDH1A1HPGDEPHX1MEN1KMT2A
SCHEMBL5754446 0.67 ALDH1A1 (0.50) ALDH1A1HPGDEPHX1MEN1KMT2A

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