SCHEMBL28627367

SCHEMBL28627367

C=CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(I)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
ACACB O00763 1/20 0.44
F13A1 P00488 1/20 0.43
TGM1 P22735 1/20 0.43
TGM3 Q08188 1/20 0.43
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL28620280 0.87 TGM2 (0.61) TGM2KMT2AMEN1NR1H4LMNA
SCHEMBL28619301 0.87 TGM2 (0.61) TGM2KMT2AMEN1NR1H4LMNA
SCHEMBL28615912 0.87 TGM2 (0.61) TGM2KMT2AMEN1NR1H4LMNA
SCHEMBL28624100 0.87 B3GNT2 (0.47) TGM2KMT2AMEN1NR1H4LMNA
SCHEMBL28617369 0.87 KMT2A (0.60) TGM2KMT2AMEN1LMNAALDH1A1
SCHEMBL28630813 0.87 KMT2A (0.60) TGM2KMT2AMEN1LMNAALDH1A1
SCHEMBL28619644 0.87 KMT2A (0.60) TGM2KMT2AMEN1LMNAALDH1A1
SCHEMBL28617576 0.85 TGM2 (0.66) TGM2KMT2AMEN1NR1H4NPC1
SCHEMBL28615353 0.85 TGM2 (0.66) TGM2KMT2AMEN1LMNAALDH1A1
SCHEMBL19393388 0.78 TGM2 (0.66) TGM2LMNAF13A1TGM1TGM3

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-109438279-B Small molecule compound for overcoming EGFR drug-resistant mutation and preparation method and application thereof 四川大学 2021-08-31 CN disclosed