SCHEMBL29015305

SCHEMBL29015305

NC(=O)O[C@@H](Cc1cccnc1)C(O)C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NAMPT P43490 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC1A2 P43004 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL29015308 1.00 RECQL (0.50) RECQLKMT2APKMTP53HTT
Hydrochloric Acid SCHEMBL29015408 0.81 PKM (0.52) RECQLKMT2APKMTP53HTT
Hydrochloric Acid SCHEMBL30396695 0.81 PKM (0.52) RECQLKMT2APKMTP53HTT
SCHEMBL29015624 0.80 PSMB1 (0.42) KMT2AHTTSMN1; SMN2HPGDMMP8
SCHEMBL29015625 0.80 PSMB1 (0.42) KMT2AHTTSMN1; SMN2HPGDMMP8
SCHEMBL27935014 0.77 LAP3 (0.46) PKMMMP8CYP3A4
SCHEMBL22987023 0.76 KMT2A (0.51) KMT2ASMN1; SMN2HPGDCYP3A4ALDH1A1
SCHEMBL30396631 0.75 CYP3A4 (0.55) CYP3A4NAMPT
SCHEMBL24190341 0.75 CYP3A4 (0.55) CYP3A4NAMPT
SCHEMBL29214291 0.75 METAP2 (0.46) KMT2ASMN1; SMN2LMNAHPGDUSP2

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-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed