SCHEMBL7865071

SCHEMBL7865071

C=CCc1ccc(C(C)O)c(-c2ncccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.44
GABRB2 P47870 7/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
GAA P10253 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
ALDH2 P05091 1/20 0.44
AKR1B1 P15121 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.39

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
SCHEMBL7785307 0.83 GABRA1 (0.41) GABRA1GABRB2MAPTALDH1A1MEN1
SCHEMBL7856827 0.78 LMNA (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8517769 0.78 GABRA1 (0.39) GABRA1GABRB2MAPTALDH1A1MEN1
SCHEMBL10485339 0.78 GABRA1 (0.69) GABRA1GABRB2MAPTALDH1A1MEN1
SCHEMBL7865075 0.76 USP1 (0.40) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7862166 0.75 SNCA (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7864420 0.73 XDH (0.36) GABRA1GABRB2MAPTALDH1A1MEN1
SCHEMBL29171996 0.73 ALDH1A1 (0.46) GABRA1GABRB2MAPTALDH1A1MEN1
SCHEMBL30848184 0.72 GABRA1 (0.39) GABRA1GABRB2MAPTALDH1A1MEN1
SCHEMBL29172099 0.72 GABRA1 (0.39) GABRA1GABRB2MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067122-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
US-5723610-A Alcohol reactants for forming phenylpyrimidine derivatives and process for preparing said alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5539115-A FERROELECTRIC CRYSTALS FOR OPTICAL APPARATUS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-23 US disclosed
EP-0435632-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed