SCHEMBL28360458

SCHEMBL28360458

NC(=O)OOC(=O)c1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.47
PTPN1 P18031 2/20 0.47
PTPRF P10586 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.39
F2 P00734 1/20 0.39
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CFTR P13569 1/20 0.36
METAP2 P50579 1/20 0.34
CTNNB1 P35222 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
ALOX15 P16050 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
SCHEMBL7651758 0.90 PTPN2 (0.55) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL28360457 0.82 PTPN2 (0.49) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL5028072 0.78 PTPN2 (0.49) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL11073126 0.78 PTPN2 (0.51) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL11639330 0.77 PTPN2 (0.55) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL27500134 0.77 NPC1 (0.54) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL18458054 0.75 PTPN2 (0.53) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL1700866 0.75 PTPN2 (0.53) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL8813905 0.74 ALDH1A1 (0.56) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL967996 0.74 ALDH1A1 (0.56) PTPN2PTPN1PTPRFMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110878034-A Method for preparing amine compound by base-catalyzed decarboxylation amination 北京理工大学 2020-03-13 CN disclosed