SCHEMBL22338701

SCHEMBL22338701

CCC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)OC

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
LNPEP Q9UIQ6 1/20 0.46
MDM4 O15151 1/20 0.46
MDM2 Q00987 1/20 0.46

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
SCHEMBL22304086 1.00 MEN1 (0.49) MEN1KMT2AHDAC1HDAC6LNPEP
SCHEMBL18569695 0.87 MEN1 (0.47) MEN1KMT2AHDAC1HDAC6LNPEP
SCHEMBL25071663 0.87 KMT2A (0.48) MEN1KMT2A
SCHEMBL22285567 0.86 CA2 (0.58) MEN1KMT2A
SCHEMBL16316818 0.86 MEN1 (0.48) MEN1KMT2ALNPEP
SCHEMBL11205081 0.86 MEN1 (0.48) MEN1KMT2ALNPEP
SCHEMBL22285568 0.86 CA2 (0.58) MEN1KMT2A
SCHEMBL6139152 0.86 MEN1 (0.48) MEN1KMT2ALNPEP
SCHEMBL14521558 0.84 ALDH1A1 (0.52) MEN1KMT2A
SCHEMBL11907045 0.84 CA2 (0.62) LNPEP

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-2020163554-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2020-08-13 WO disclosed