SCHEMBL14977149

SCHEMBL14977149

COc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.68
TNF P01375 2/20 0.56
NR2F2 P24468 2/20 0.56
NOD1 Q9Y239 2/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
GALR3 O60755 1/20 0.54

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
SCHEMBL14977486 0.89 RAB9A (0.62) DHODHTNFNR2F2NOD1POLB
SCHEMBL14977635 0.89 KMT2A (0.59) DHODHKMT2AMEN1
SCHEMBL14977504 0.88 DHODH (0.68) DHODHTNFNR2F2NOD1POLB
SCHEMBL14985372 0.88 KMT2A (0.57) DHODHTNFNR2F2NOD1POLB
SCHEMBL14977788 0.85 DHODH (0.69) DHODHKMT2AMEN1
SCHEMBL14977360 0.84 NPC1 (0.56) DHODHTNFNR2F2NOD1POLB
SCHEMBL14977709 0.83 RAB9A (0.64) DHODHTNFNR2F2NOD1POLB
SCHEMBL14977157 0.82 DHODH (0.56) DHODHTNFNR2F2NOD1KMT2A
SCHEMBL14977713 0.82 RAB9A (0.64) DHODHTNFNR2F2NOD1KMT2A
SCHEMBL14977161 0.82 RAB9A (0.64) DHODHTNFNR2F2NOD1POLB

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-2782943-A1 CURABLE COMPOSITIONS CONTAINING ISOCYANATE FUNCTIONAL COMPONENTS AND HAVING IMPROVED DURABILITY IN THE CURED STATE Dow Global Technologies LLC (US) 2014-10-01 EP disclosed
WO-2013077908-A1 CURABLE COMPOSITIONS CONTAINING ISOCYANATE FUNCTIONAL COMPONENTS AND HAVING IMPROVED DURABILITY IN THE CURED STATE DOW GLOBAL TECHNOLOGIES LLC (US) 2013-05-30 WO disclosed
WO-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed
WO-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed