SCHEMBL29201804

SCHEMBL29201804

O=[C]c1cc(NC(=O)CCl)cc(NC(=O)CCl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NOD2 Q9HC29 1/20 0.50
ALDH1A1 P00352 12/20 0.44
SMN1; SMN2 Q16637 8/20 0.44
HTT P42858 7/20 0.44
PRMT1 Q99873 1/20 0.44
MAPT P10636 4/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9827719 0.81 NPC1 (0.59) MITFNPC1RAB9AXBP1NPSR1
SCHEMBL20528915 0.81 GPR35 (0.38) RAB9AKMT2APOLBLMNAMEN1
SCHEMBL8510583 0.81 GPR35 (0.38) RAB9AALDH1A1MAPTKMT2APOLB
SCHEMBL22832993 0.74 KMT2A (0.54) MITFNPC1RAB9AXBP1NPSR1
SCHEMBL11802189 0.74 ALDH1A1 (0.67) MITFNPC1RAB9AXBP1NPSR1
SCHEMBL4008576 0.74 ACP1 (0.59) MITFNPC1RAB9AXBP1NPSR1
SCHEMBL31703305 0.73 GPR35 (0.46) MITFNPC1RAB9AXBP1NPSR1
SCHEMBL31703209 0.73 GPR35 (0.46) MITFNPC1RAB9AXBP1NPSR1
SCHEMBL3063974 0.72 KMT2A (0.48) MITFNPC1RAB9AXBP1NPSR1
SCHEMBL4006112 0.72 ALDH1A1 (0.59) MITFNPC1RAB9AXBP1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117925757-A Asparagine endopeptidase mediated polypeptide cyclization method and application thereof in phage display peptide library 安徽大学 2024-04-26 CN claimed
CN-117925757-A Asparagine endopeptidase mediated polypeptide cyclization method and application thereof in phage display peptide library 安徽大学 2024-04-26 CN disclosed
CN-117925758-A Ligase-catalyzed polypeptide cyclization method and application thereof in phage display peptide library 安徽大学 2024-04-26 CN disclosed