SCHEMBL14977239

SCHEMBL14977239

COc1ccc(-n2ncc3c2CCCC3NC(=O)c2ncccc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NOD1 Q9Y239 5/20 0.57
NOD2 Q9HC29 4/20 0.57
TNF P01375 3/20 0.57
NPC1 O15118 1/20 0.54
NR2F2 P24468 1/20 0.54
RAB9A P51151 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
SCHEMBL14985316 0.90 DHODH (0.59) DHODHMEN1KMT2ANOD1TNF
SCHEMBL14977399 0.90 DHODH (0.72) DHODHMEN1KMT2ANPC1RAB9A
SCHEMBL14977157 0.89 DHODH (0.56) DHODHMEN1KMT2ANOD1NOD2
SCHEMBL14977822 0.89 KMT2A (0.56) DHODHMEN1KMT2ANOD1NOD2
SCHEMBL14977744 0.87 NOD1 (0.63) DHODHMEN1KMT2ANOD1NOD2
SCHEMBL14977788 0.84 DHODH (0.69) DHODHMEN1KMT2A
SCHEMBL14977713 0.83 RAB9A (0.64) DHODHMEN1KMT2ANOD1NOD2
SCHEMBL14977611 0.83 DHODH (0.64) DHODHMEN1KMT2ANOD1NOD2
SCHEMBL14977144 0.83 MEN1 (0.61) DHODHMEN1KMT2ANOD1NOD2
SCHEMBL14977635 0.83 KMT2A (0.59) DHODHMEN1KMT2A

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