SCHEMBL13889162

SCHEMBL13889162

C=C1c2ccccc2N(C)C1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 7/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 5/20 0.35
HSD17B10 Q99714 3/20 0.35
CASP1 P29466 2/20 0.35
CES1 P23141 2/20 0.34
TTR P02766 1/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.31
GLA P06280 1/20 0.31
CASP7 P55210 1/20 0.31
S100A4 P26447 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
SCHEMBL68922 0.76 KDM4E (0.46) GPR3KDM4EALDH1A1GAAHPGD
SCHEMBL28347343 0.73 GPR3 (0.42) GPR3KDM4EALDH1A1GAAHPGD
SCHEMBL23520161 0.73 GPR3 (0.42) GPR3KDM4EALDH1A1GAAHPGD
SCHEMBL18833313 0.69 PDGFRB (0.40) GPR3KDM4EALDH1A1GAAHPGD
SCHEMBL27337056 0.69 PDGFRB (0.40) GPR3KDM4EALDH1A1GAAHPGD
SCHEMBL27343998 0.69 PDGFRB (0.40) GPR3KDM4EALDH1A1GAAHPGD
SCHEMBL29765639 0.66 PDGFRB (0.42) GPR3KDM4EALDH1A1GAAHPGD
SCHEMBL1412726 0.66 PDGFRB (0.42) GPR3KDM4EALDH1A1GAAHPGD
SCHEMBL27321754 0.65 GPR3 (0.46) GPR3KDM4EALDH1A1GAAHPGD
SCHEMBL18943692 0.65 GPR3 (0.42) GPR3KDM4EALDH1A1GAAHPGD

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-2042573-A1 Ink composition FUJIFILM Corporation (JP) 2009-04-01 EP disclosed