SCHEMBL28031996

SCHEMBL28031996

COC(=O)c1ccc2cc3c(nc2c1)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.50
LMNA P02545 1/20 0.48
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL22703905 0.89 GRM1 (0.62) GRM1LMNAKDM4EALDH1A1MAPT
SCHEMBL2229135 0.82 ALDH1A1 (0.49) GRM1LMNAKDM4EALDH1A1MAPT
SCHEMBL30098818 0.81 GRM1 (0.47) GRM1LMNAKDM4EALDH1A1MAPT
SCHEMBL2228761 0.81 GRM1 (0.47) GRM1LMNAKDM4EALDH1A1MAPT
SCHEMBL2283812 0.75 NPC1 (0.54) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2227205 0.75 NPC1 (0.51) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL28998070 0.74 ACHE (0.63) NPC1RAB9A
SCHEMBL2633409 0.74 ALDH1A1 (0.56) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL31544703 0.74 ALDH1A1 (0.56) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10472947 0.74 KDM4E (0.51) GRM1LMNAKDM4EALDH1A1MAPT

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
CN-102781919-B As the amido acridine derivatives of the selective depressant of ubiquitin-specific protease 7 HYBRIGENICS S.A. (FR) 2016-01-20 CN disclosed