SCHEMBL24301429

SCHEMBL24301429

N=CC(=O)CC[C@H](N)C(=O)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.47
KMT2A Q03164 2/20 0.47
MMP8 P22894 2/20 0.45
EGFR P00533 2/20 0.44
SRC P12931 1/20 0.44
MMP2 P08253 1/20 0.43
GAA P10253 1/20 0.43
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 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
SCHEMBL10098521 0.82 SLC1A1 (0.51) SLC1A1KMT2AMMP8EGFRSRC
SCHEMBL16103221 0.82 SLC1A1 (0.51) SLC1A1KMT2AMMP8EGFRSRC
SCHEMBL29313122 0.82 SLC1A1 (0.66) SLC1A1KMT2AMMP8MMP2GAA
SCHEMBL30120748 0.79 MMP2 (0.56) SLC1A1KMT2AMMP8EGFRSRC
SCHEMBL5555507 0.79 SLC1A1 (0.57) SLC1A1KMT2AMMP8EGFRSRC
SCHEMBL18952189 0.79 SPHK1 (0.62) SLC1A1KMT2AMMP8EGFRSRC
SCHEMBL3583374 0.79 MMP2 (0.56) SLC1A1KMT2AMMP8EGFRSRC
SCHEMBL24301430 0.79 CA1 (0.61) KMT2AEGFRSRCSCN9AMEN1
SCHEMBL15466662 0.79 CA12 (0.50) SLC1A1KMT2AMMP8EGFRSRC
SCHEMBL15466661 0.79 CA12 (0.50) SLC1A1KMT2AMMP8EGFRSRC

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
WO-2022078462-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-04-21 WO disclosed