SCHEMBL8035103

SCHEMBL8035103

CC(O)CCCC=Cc1ccc2nc(-c3ccc(O)cc3F)cnc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK10 P53779 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ESR2 Q92731 5/20 0.33
ESR1 P03372 4/20 0.33
JAK1 P23458 1/20 0.33
ALOX5AP P20292 4/20 0.31
FEN1 P39748 4/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
TYR P14679 2/20 0.30

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
SCHEMBL8035098 1.00 MEN1 (0.38) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL8047039 0.96 MEN1 (0.38) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL8047035 0.96 MEN1 (0.38) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL8044087 0.87 ESR1 (0.32) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL8044090 0.87 ESR1 (0.32) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL8048913 0.86
SCHEMBL8048922 0.86
SCHEMBL8035151 0.86 ESR2 (0.34) MAPTESR2ESR1FGFR1FGFR2
SCHEMBL8035146 0.86 ESR2 (0.34) MAPTESR2ESR1FGFR1FGFR2
SCHEMBL8051521 0.85 MEN1 (0.33) MEN1ALDH1A1MAPTALOX12MAPK10

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-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed