SCHEMBL29009669

SCHEMBL29009669

O=C(O)N(c1ccccn1)c1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL935444 0.82 HTT (0.54) HTTNPSR1TSHRPOLBTP53
SCHEMBL29837150 0.79 POLB (0.39) HTTNPSR1TSHRPOLBTP53
SCHEMBL10855054 0.78 NPSR1 (0.50) HTTNPSR1TSHRPOLBTP53
SCHEMBL2092783 0.75 NPSR1 (0.50) HTTNPSR1TSHRPOLBALDH1A1
SCHEMBL29009656 0.74 LMNA (0.43) TP53KMT2AKDM4ETRPM8SMN1; SMN2
SCHEMBL28842772 0.73 ALDH1A1 (0.37) TSHRPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL15348824 0.72 TSHR (0.50) HTTNPSR1TSHRPOLBALDH1A1
SCHEMBL7904906 0.71 KMT2A (0.54) HTTNPSR1TSHRPOLBALDH1A1
SCHEMBL2954353 0.70 TSHR (0.51) HTTNPSR1TSHRPOLBALDH1A1
SCHEMBL6272956 0.70 HTT (0.53) HTTNPSR1TSHRPOLBTP53

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