SCHEMBL10520187

SCHEMBL10520187

CC(=O)NC1CCCCN1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
EPHX2 P34913 2/20 0.37
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL14076271 0.94 CA1 (0.40) EPHX2EPHX1ALDH1A1CA1CA2
SCHEMBL8571021 0.82 HTT (0.36) HTTALDH1A1KDM4E
SCHEMBL9037205 0.79 L3MBTL1 (0.46) EPHX2ALDH1A1
SCHEMBL10370233 0.76 NOS2 (0.33)
SCHEMBL4630786 0.76 CA1 (0.36) HTTEPHX2EPHX1ALDH1A1CA1
SCHEMBL28065540 0.72 TEAD1 (0.38) ALDH1A1KDM4E
SCHEMBL723049 0.72
SCHEMBL6355919 0.71 CA1 (0.38) EPHX2EPHX1ALDH1A1CA1CA2
SCHEMBL12890263 0.71 NAMPT (0.47) KDM4E
SCHEMBL6017513 0.70

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
EP-0342675-A2 Novel quinolonecarboxylic acid derivatives Chugai Seiyaku Kabushiki Kaisha (JP) 1989-11-23 EP disclosed