SCHEMBL14977664

SCHEMBL14977664

COc1ccc(-n2ncc3c2CCCC3NC(=O)c2cccc(F)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.54
TNF P01375 2/20 0.53
NOD1 Q9Y239 2/20 0.53
NOD2 Q9HC29 1/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
TTR P02766 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.51
NR2F2 P24468 1/20 0.51

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
SCHEMBL14985332 0.90 KMT2A (0.58) DHODHTNFNOD1KMT2AMEN1
SCHEMBL14977362 0.90 KMT2A (0.56) DHODHTNFNOD1KMT2AMEN1
SCHEMBL14977788 0.86 DHODH (0.69) DHODHKMT2AMEN1
SCHEMBL14977635 0.85 KMT2A (0.59) DHODHKMT2AMEN1TTR
SCHEMBL14977774 0.84 KMT2A (0.58) DHODHTNFNOD1NOD2KMT2A
SCHEMBL14977744 0.84 NOD1 (0.63) DHODHTNFNOD1NOD2KMT2A
SCHEMBL14977713 0.83 RAB9A (0.64) DHODHTNFNOD1NOD2KMT2A
SCHEMBL14977611 0.83 DHODH (0.64) DHODHTNFNOD1NOD2KMT2A
SCHEMBL14977239 0.82 DHODH (0.58) DHODHTNFNOD1NOD2KMT2A
SCHEMBL14985372 0.82 KMT2A (0.57) DHODHTNFNOD1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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