SCHEMBL13044579

SCHEMBL13044579

CCC(C)CNC(=O)c1ccc2c(c1)c1ccccc1n2CC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.60
NPY5R Q15761 1/20 0.60
MAPT P10636 3/20 0.57
TP53 P04637 1/20 0.57
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL15899470 0.87 RORC (0.60) RORCNPY5RMAPTTP53KMT2A
SCHEMBL4726983 0.83 RORC (0.58) RORCNPY5RMAPTLMNAKDM4E
SCHEMBL4726986 0.83 NPY5R (0.71) RORCNPY5RMAPTLMNAKDM4E
SCHEMBL4727844 0.81 RORC (0.77) RORCNPY5RMAPT
SCHEMBL30062001 0.81 PTGER4 (0.67) RORCNPY5RMAPTLMNAKDM4E
SCHEMBL4727906 0.81 PTGER4 (0.67) RORCNPY5RMAPTLMNAKDM4E
SCHEMBL15899378 0.80 RORC (0.59) RORCMAPTTP53
SCHEMBL4728500 0.80 NPY5R (0.67) RORCNPY5RMAPTTP53LMNA
SCHEMBL4727519 0.79 NPY5R (0.83) RORCNPY5RMAPTTP53LMNA
SCHEMBL14263711 0.78 MAPT (0.62) RORCNPY5RMAPTLMNAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834067-B2 Pigment composition, ink composition, printed article, inkjet recording method and polyallylamine derivative FUJIFILM CORPORATION (JP) 2010-11-16 US disclosed
US-20090233062-A1 PIGMENT COMPOSITION, INK COMPOSITION, PRINTED ARTICLE, INKJET RECORDING METHOD AND POLYALLYLAMINE DERIVATIVE FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed