SCHEMBL20118347

SCHEMBL20118347

CC/C=C(\CC)C(=O)Nc1ccc(C(=N)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CTSK P43235 2/20 0.38
CTSS P25774 1/20 0.38
CA2 P00918 1/20 0.37
HTT P42858 2/20 0.37
TRPA1 O75762 2/20 0.36
PTPRB P23467 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.34
EGFR P00533 1/20 0.34
PTPN11 Q06124 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
GLS O94925 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
SCHEMBL20118288 0.78 RAB9A (0.36) KMT2AKDM4EALDH1A1HPGDPTPN11
SCHEMBL24765305 0.77 L3MBTL1 (0.40) MEN1KMT2ACA2HTTALDH1A1
SCHEMBL24764311 0.72 MEN1 (0.38) MEN1KMT2ACTSKCTSSCA2
SCHEMBL26814991 0.69 CTSS (0.52) MEN1KMT2ACTSKCTSSCA2
SCHEMBL20118531 0.69 MEN1 (0.36) MEN1KMT2AHTTTRPA1PTPRB
SCHEMBL20118820 0.68 F2 (0.34) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL26347288 0.67 MEN1 (0.52) MEN1KMT2ACTSKCTSSCA2
SCHEMBL2640762 0.67 CTSS (0.52) MEN1KMT2ACTSKCTSSCA2
SCHEMBL25069089 0.67 CTSS (0.52) MEN1KMT2ACTSKCTSSCA2
SCHEMBL1752685 0.67 MEN1 (0.52) MEN1KMT2ACTSKCTSSCA2

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-2018081513-A1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed