SCHEMBL14985331

SCHEMBL14985331

COc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccc(I)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
NOD1 Q9Y239 3/20 0.56
NOD2 Q9HC29 1/20 0.56
TNF P01375 2/20 0.54
NR2F2 P24468 2/20 0.54
GALR3 O60755 1/20 0.54
ATM Q13315 1/20 0.53
DHODH Q02127 2/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL14977583 0.91 RAB9A (0.68) NPC1RAB9AMEN1KMT2ANOD1
SCHEMBL14977713 0.90 RAB9A (0.64) NPC1RAB9AMEN1KMT2ANOD1
SCHEMBL14977161 0.90 RAB9A (0.64) NPC1RAB9AMEN1KMT2ANOD1
SCHEMBL14977611 0.90 DHODH (0.64) NPC1RAB9AMEN1KMT2ANOD1
SCHEMBL14977486 0.89 RAB9A (0.62) NPC1RAB9AMEN1KMT2ANOD1
SCHEMBL14977533 0.89 KMT2A (0.78) NPC1RAB9AMEN1KMT2ANOD1
SCHEMBL14977709 0.88 RAB9A (0.64) NPC1RAB9AMEN1KMT2ANOD1
SCHEMBL14977144 0.86 MEN1 (0.61) NPC1RAB9AMEN1KMT2ANOD1
SCHEMBL14977531 0.86 MEN1 (0.61) NPC1RAB9AMEN1KMT2ANOD1
SCHEMBL14977807 0.84 KMT2A (0.67) NPC1RAB9AMEN1KMT2ANOD1

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 1 patent. 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