SCHEMBL8047313

SCHEMBL8047313

CC(O)CCC/C=C/c1cnc(-c2ccc(O)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TYR P14679 2/20 0.31
APP P05067 2/20 0.31
USP7 Q93009 1/20 0.30
ESR1 P03372 2/20 0.30
ESR2 Q92731 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
SCHEMBL8047317 1.00 MEN1 (0.42) MEN1KMT2ANPC1RAB9AUSP2
SCHEMBL8045898 0.95 MEN1 (0.36) MEN1KMT2ANPC1RAB9A
SCHEMBL8045907 0.95 MEN1 (0.36) MEN1KMT2ANPC1RAB9A
SCHEMBL8049281 0.92 RAB9A (0.49) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL8046131 0.92 RAB9A (0.49) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL8046129 0.92 RAB9A (0.49) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL8049285 0.92 RAB9A (0.49) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL8045905 0.91 MEN1 (0.35) MEN1KMT2ANPC1RAB9AAPP
SCHEMBL8045899 0.91 MEN1 (0.35) MEN1KMT2ANPC1RAB9AAPP
SCHEMBL8046717 0.90 MEN1 (0.37) MEN1KMT2ANPC1RAB9A

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