SCHEMBL9501452

SCHEMBL9501452

O=C(O)c1ccccc1NC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.58
GAA P10253 4/20 0.57
ABCC1 P33527 3/20 0.52
GRIK1 P39086 1/20 0.52
GRIA2 P42262 1/20 0.52
MAPT P10636 3/20 0.51
KDM4E B2RXH2 3/20 0.51
PKM P14618 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TP53 P04637 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FABP4 P15090 1/20 0.47
HCAR3 P49019 1/20 0.47
LMNA P02545 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
SCHEMBL3274851 0.98 MAPK8 (0.60) MAPK8GAAABCC1GRIK1GRIA2
SCHEMBL31061416 0.98 MAPK8 (0.60) MAPK8GAAABCC1GRIK1GRIA2
SCHEMBL23304334 0.96 MAPK8 (0.54) MAPK8GAAABCC1GRIK1GRIA2
SCHEMBL24074130 0.93 GRIK1 (0.58) MAPK8GAAABCC1GRIK1GRIA2
SCHEMBL10787690 0.89 MAPK8 (0.52) MAPK8GAAABCC1GRIK1GRIA2
SCHEMBL30776204 0.85 GRIK1 (0.52) MAPK8GAAABCC1GRIK1GRIA2
SCHEMBL31391653 0.85 GRIK1 (0.49) MAPK8GAAABCC1GRIK1GRIA2
SCHEMBL7392417 0.84 TP53 (0.66) GAAMAPTKDM4EPKMMEN1
SCHEMBL19657496 0.83 PDE5A (0.51) MAPK8GAAMAPTKDM4EPKM
SCHEMBL31496804 0.83 PDE5A (0.51) MAPK8GAAMAPTKDM4EPKM

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
US-5217982-A Compounds having antihypertensive properties RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-06-08 US disclosed