SCHEMBL19982896

SCHEMBL19982896

COC(=O)CNC(=O)C(C)C(C#N)N(C=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CTSS P25774 5/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
PPM1B O75688 1/20 0.34
MDM2 Q00987 1/20 0.34
ACE P12821 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19975065 0.80 MDM2 (0.38) ANPEPMEN1KMT2AMDM2ACE
SCHEMBL19975230 0.77 MEN1 (0.40) ANPEPMEN1KMT2A
SCHEMBL19974948 0.69 KMT2A (0.46) ANPEPMEN1KMT2ASMN1; SMN2
SCHEMBL11940451 0.68 CYP3A4 (0.63) MEN1KMT2AACESMN1; SMN2
SCHEMBL13458988 0.67 KCNA5 (0.43) MEN1KMT2A
SCHEMBL19974876 0.66 MEN1 (0.47) MEN1KMT2ASMN1; SMN2
SCHEMBL2046868 0.65 MEN1 (0.49) MEN1KMT2A
SCHEMBL21563181 0.65 EPOR (0.45) MEN1KMT2A
SCHEMBL21183546 0.65 PTGES (0.46) MEN1KMT2A
SCHEMBL20630035 0.64 NPC1 (0.42) MEN1KMT2ASMN1; SMN2

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-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed