SCHEMBL23747427

SCHEMBL23747427

CCC(=O)OC(CC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
NPC1 O15118 2/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 2/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL2676531 0.88 NPC1 (0.50) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL2676537 0.86 NPC1 (0.46) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL23747623 0.86 NPC1 (0.49) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL27483144 0.83 MAPT (0.48) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL11026695 0.81 MAPT (0.43) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL11027473 0.81 MAPT (0.50) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL378398 0.80 ALDH1A1 (0.47) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL6308371 0.79 ALDH1A1 (0.46) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL19520108 0.77 LMNA (0.44) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL4315175 0.77 LMNA (0.44) KDM4ELMNAKMT2AALDH1A1MEN1

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-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed