SCHEMBL14198541

SCHEMBL14198541

CCCCCCCCO[n+]1cc2ccccc2c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
NPC1 O15118 5/20 0.45
HTT P42858 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
RAD52 P43351 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RCE1 Q9Y256 1/20 0.43

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
SCHEMBL12039128 1.00 KDM4E (0.45) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL14198553 0.80 KDM4E (0.38) KDM4EHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL13043236 0.77 ALDH1A1 (0.41) KDM4EHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11038367 0.77 KDM4E (0.54) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL10182268 0.77 KDM4E (0.54) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL12039059 0.75 HTT (0.47) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL3135483 0.72 KDM4E (0.66) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL12039121 0.72 SMN1; SMN2 (0.40) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL17832789 0.70 NPC1 (0.49) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL12629559 0.69 KDM4E (0.50) KDM4ENPC1HTTRAB9ASMN1; SMN2

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-20080087183-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2008-04-17 US disclosed