SCHEMBL29135344

SCHEMBL29135344

O=[N+]([O-])c1ccccc1OC(F)C(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.49
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR2 Q92731 1/20 0.40
MAPT P10636 1/20 0.40
HSPB1 P04792 1/20 0.40

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
SCHEMBL1424469 0.85 ALDH1A1 (0.58) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL7833146 0.81 TDP1 (0.51) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL27585309 0.80 TDP1 (0.51) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL10499142 0.79 ALDH1A1 (0.51) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL27990079 0.78 ALDH1A1 (0.50) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL1342303 0.78 ALDH1A1 (0.63) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL27952716 0.78 ALDH1A1 (0.63) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL29226251 0.77 S100A4 (0.40) ALDH1A1TDP1RAB9AKMT2AMEN1
SCHEMBL29133541 0.77 PDE7A (0.51) ALDH1A1NPC1RAB9AL3MBTL1HPGD
SCHEMBL20190681 0.77 HTT (0.41) ALDH1A1TDP1RAB9AL3MBTL1KMT2A

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-112142567-B Preparation method of 2-fluoro-3-chlorophenol 浙江永太科技股份有限公司 2023-11-14 CN disclosed