SCHEMBL22959010

SCHEMBL22959010

N/C(=C\N(N)Cc1ccc(F)cc1)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
RIPK1 Q13546 2/20 0.36
OPRM1 P35372 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCL2A1 Q16548 1/20 0.36

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
SCHEMBL22959015 0.84 FFAR1 (0.42) FFAR1HTTTDP1RAB9AKMT2A
SCHEMBL22958934 0.77 LMNA (0.34) FFAR1TDP1RIPK1BCL2A1
SCHEMBL22958989 0.74 HPGD (0.37) TDP1RIPK1OPRM1TMEM97
SCHEMBL23188955 0.74 TDP1 (0.39) HTTTDP1MEN1KMT2ARIPK1
SCHEMBL17542506 0.71 HDAC3 (0.47) FFAR1TDP1HDAC3HDAC1HDAC2
SCHEMBL1669089 0.71 LOXL2 (0.43) RIPK1BCL2A1
SCHEMBL23543600 0.68 LMNA (0.36)
SCHEMBL25384725 0.68 ALDH1A1 (0.47) TDP1RIPK1
SCHEMBL2441712 0.68 MEP1B (0.49) FFAR1HTTTDP1MEN1RAB9A
SCHEMBL19980450 0.67 AOC3 (0.44) HTTTDP1RAB9A

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-2021023798-A1 COMPOSITIONS FOR TRANSFECTING A NUCLEIC ACID MOLECULE INTO A CELL COMPRISING TRIAZOLE COMPOUNDS GRAFTED TO A CATIONIC POLYMER, AND THEIR APPLICATIONS POLYPLUS TRANSFECTION (FR) 2021-02-11 WO disclosed