SCHEMBL13081981

SCHEMBL13081981

N[C@H]1Cc2c([nH]c3ccccc23)CN(CC=O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
SSTR4 P31391 2/20 0.44
SSTR5 P35346 2/20 0.44
NR2E1 Q9Y466 1/20 0.44
MEN1 O00255 2/20 0.44
SSTR2 P30874 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CYP19A1 P11511 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
SCHEMBL4738583 0.85 KMT2A (0.49) KMT2ATRPM8SSTR4SSTR5NR2E1
SCHEMBL13081976 0.82 SSTR4 (0.50) KMT2ATRPM8SSTR4SSTR5SSTR2
SCHEMBL377599 0.70 NR2E1 (0.54) KMT2ANR2E1MEN1KDM4EALDH1A1
SCHEMBL21754369 0.67 NR2E1 (0.75) NR2E1KDM4EALDH1A1MAPT
SCHEMBL30866199 0.66 NR2E1 (0.52) KMT2ATRPM8NR2E1MEN1KDM4E
SCHEMBL19161254 0.66 KMT2A (0.73) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL19138937 0.66 KMT2A (0.73) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL12564952 0.65 KDM4E (0.50) TRPM8NR2E1KDM4ECYP19A1
SCHEMBL19138900 0.64 KMT2A (0.77) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL19138982 0.64 KMT2A (0.70) KMT2ATRPM8MEN1KDM4EALDH1A1

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-2010133806-A2 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP UNIVERSITE JOSEPH FOURIER (FR) 2010-11-25 WO disclosed