SCHEMBL3129261

SCHEMBL3129261

CCOc1ccc(C(N)c2cnco2)cc1OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.39
ALDH1A1 P00352 7/20 0.39
LMNA P02545 2/20 0.39
S1PR1 P21453 6/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TNF P01375 1/20 0.36
MAPT P10636 3/20 0.35
S1PR3 Q99500 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL3117583 0.93 MAPT (0.44) AAK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3121033 0.93 ALDH1A1 (0.42) AAK1ALDH1A1S1PR1MEN1KMT2A
SCHEMBL3126180 0.91 AAK1 (0.39) AAK1ALDH1A1LMNAS1PR1MEN1
SCHEMBL3130706 0.90 AAK1 (0.39) AAK1LMNAMEN1KMT2AKDM4E
SCHEMBL3121098 0.89 AAK1 (0.40) AAK1ALDH1A1LMNAS1PR1MEN1
SCHEMBL3117907 0.78 ALDH1A1 (0.41) ALDH1A1LMNAS1PR1MEN1KMT2A
SCHEMBL3132672 0.78 PDE4B (0.45) AAK1L3MBTL1
SCHEMBL3131223 0.76 L3MBTL1 (0.40) AAK1ALDH1A1KMT2AHPGDNPSR1
SCHEMBL3131836 0.76 PDE4A (0.45)
SCHEMBL3121296 0.75 L3MBTL1 (0.39) AAK1LMNAMEN1KMT2AHPGD

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed