SCHEMBL29408152

SCHEMBL29408152

N#Cc1ccc(OC(F)F)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.39
EPAS1 Q99814 2/20 0.39
VEGFA P15692 1/20 0.39
FFAR1 O14842 1/20 0.39
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
ESRRA P11474 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL22658071 1.00 NR3C1 (0.39) NR3C1EPAS1VEGFAFFAR1MEN1
SCHEMBL23148790 0.86 SLC22A12 (0.36) EPAS1VEGFAMEN1TTRALB
SCHEMBL10164859 0.83 SLC22A12 (0.43) SLC22A12AR
SCHEMBL1963234 0.82 NR3C1 (0.42) NR3C1FFAR1MEN1TTRALB
SCHEMBL16951654 0.82 ALDH1A1 (0.31)
SCHEMBL2448493 0.80 USP30 (0.41) SLC22A12CYP11B1CYP11B2AR
SCHEMBL12619038 0.79 NR3C1 (0.45) NR3C1EPAS1FFAR1
SCHEMBL16955678 0.79 SLC22A12 (0.36) SLC22A12CYP11B1CYP11B2AR
SCHEMBL16177839 0.79 CA12 (0.38) SLC22A12CYP11B1CYP11B2AR
SCHEMBL14150477 0.79 KDM4E (0.39) SLC22A12AR

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
CN-114127049-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-03-01 CN disclosed