SCHEMBL29009656

SCHEMBL29009656

O=C(O)N(c1nccs1)c1ccccc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
AURKA O14965 1/20 0.36
PIM1 P11309 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
STAT1 P42224 1/20 0.35
NR3C1 P04150 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYP1A2 P05177 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
SCHEMBL29837258 0.81 LMNA (0.39) LMNATRPM8KDM4EKMT2AFFAR1
SCHEMBL29837167 0.80 METAP1 (0.35) LMNATRPM8KMT2ANR3C1
SCHEMBL1896858 0.80 LMNA (0.53) LMNATRPM8NPC1RAB9AAURKA
SCHEMBL16180417 0.79 LMNA (0.43) LMNATRPM8NPC1RAB9AAURKA
SCHEMBL29009669 0.74 HTT (0.44) LMNATRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL29009670 0.74 DAO (0.35) LMNANPC1RAB9ATP53KMT2A
SCHEMBL2092783 0.72 NPSR1 (0.50) TRPM8NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2772989 0.71 LMNA (0.51) LMNATRPM8NPC1RAB9AAURKA
SCHEMBL2772986 0.71 LMNA (0.51) LMNATRPM8NPC1RAB9AAURKA
SCHEMBL1325354 0.71 LMNA (0.51) LMNATRPM8NPC1RAB9AAURKA

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