SCHEMBL14977833

SCHEMBL14977833

COc1ccc(-n2ncc3c2CCCC3NC(=O)c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
DHODH Q02127 3/20 0.51
NOD2 Q9HC29 2/20 0.51
NOD1 Q9Y239 2/20 0.51
TNF P01375 1/20 0.51
TTR P02766 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL14977709 0.91 RAB9A (0.64) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL14977360 0.89 NPC1 (0.56) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL14977774 0.88 KMT2A (0.58) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL14977197 0.87 MEN1 (0.61) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL14977672 0.86 MEN1 (0.58) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL14977611 0.86 DHODH (0.64) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL14977486 0.84 RAB9A (0.62) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL14977542 0.84 MEN1 (0.56) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL14977144 0.84 MEN1 (0.61) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL14977297 0.83 MEN1 (0.57) MEN1KMT2ANPC1RAB9ADHODH

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