SCHEMBL29065003

SCHEMBL29065003

NC(=O)OCc1nc(-c2cc3c(Br)cccc3n2C(F)C(F)F)no1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
CNR2 P34972 7/20 0.32
GSTP1 P09211 2/20 0.32
AKR1B1 P15121 1/20 0.32
MAPT P10636 6/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 2/20 0.30

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
SCHEMBL29065110 0.85 NOTUM (0.34) CNR2
SCHEMBL29064958 0.83 CYP2D6 (0.33) FFAR1CNR2
SCHEMBL29065052 0.80 MEN1 (0.32) MEN1KMT2A
SCHEMBL29065022 0.80 CYP2D6 (0.39) MAPTMEN1TSHRKMT2ATP53
SCHEMBL29065040 0.80 SLC5A7 (0.33) MAPTTSHRSMN1; SMN2TP53
SCHEMBL29065077 0.77 MAPT (0.33) MAPT
SCHEMBL29065150 0.77 GLS (0.30)
SCHEMBL29184884 0.77 CHRM3 (0.32) MAPTTP53
SCHEMBL29065117 0.69 MAPT (0.33) MAPTMEN1HTTKMT2ASMN1; SMN2
SCHEMBL29065057 0.67 AOC2 (0.34) MAPTMEN1KMT2ASMN1; SMN2

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-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed