SCHEMBL11289142

SCHEMBL11289142

CCN(CC)c1ccc(C(c2ccc(NC(C)CCC#N)cc2C)c2ccc(NC(C)CCC#N)cc2C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.34
CNR2 P34972 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
GRIA2 P42262 1/20 0.31
MAPT P10636 3/20 0.31
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3903241 0.89 HTT (0.34) HTTALDH1A1MAPTL3MBTL1MEN1
SCHEMBL5011802 0.79 MEN1 (0.46) CNR2HTTALDH1A1MAPTMAPK1
SCHEMBL11289144 0.78 ALDH1A1 (0.40) GRK6CNR2HTTALDH1A1TSHR
SCHEMBL3895324 0.74 ALDH1A1 (0.42) HTTALDH1A1TSHRMAPTMAPK1
SCHEMBL658351 0.74 S100B (0.51) GRK6CNR2HTTALDH1A1TSHR
SCHEMBL10952039 0.72 S100B (0.53) GRK6CNR2HTTALDH1A1TSHR
SCHEMBL3903246 0.71 CRHR1 (0.43) GRK6HTTALDH1A1TSHRGRIA2
SCHEMBL13804083 0.71 S100B (0.51) GRK6CNR2HTTALDH1A1TSHR
SCHEMBL656825 0.71 S100B (0.51) GRK6CNR2HTTALDH1A1TSHR
SCHEMBL11105809 0.70 S100B (0.47) GRK6CNR2HTTALDH1A1TSHR

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-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed