SCHEMBL7785288

SCHEMBL7785288

C=CCOc1ccc(C(O)C(F)(F)F)cc1-c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 3/20 0.33
NTRK1 P04629 2/20 0.33
TBXA2R P21731 1/20 0.33
PTGER1 P34995 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A1 O15245 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL7795329 0.84 NTRK1 (0.35) NTRK1
SCHEMBL7865023 0.84 KDM4E (0.40) GAATSHRKDM4EMAPTMEN1
SCHEMBL7785295 0.81 CYP3A4 (0.44) TSHRNTRK1MEN1RAB9AKMT2A
SCHEMBL7791009 0.81 NTRK1 (0.35) GAAKDM4ENTRK1MAPTMEN1
SCHEMBL7790995 0.80 ADRB2 (0.39) TSHRTBXA2RPTGER1MAPTSLC22A1
SCHEMBL24653903 0.72 ALDH1A1 (0.44) GAAKDM4EMAPTMEN1NPC1
SCHEMBL8517605 0.71 ADRB2 (0.39) GAATSHRKDM4EMAPTMEN1
SCHEMBL9418032 0.71 CYP2D6 (0.46) GAAKDM4EMAPTMEN1NPC1
SCHEMBL7794838 0.70 SNCA (0.42) TSHRMAPTMEN1NPC1RAB9A
SCHEMBL24653824 0.69 HPGD (0.45) TSHRKDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435632-B1 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 CO (JP) 2001-11-28 EP disclosed
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