SCHEMBL27677397

SCHEMBL27677397

COc1ccc(N)c(Br)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
EP300 Q09472 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
ALDH1A1 P00352 8/20 0.42
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
APP P05067 3/20 0.39
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.37

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
SCHEMBL30140381 0.83 IDO1 (0.44) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL20167950 0.83 IDO1 (0.44) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL1429875 0.80 IDO1 (0.48) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL17276025 0.78 IDO1 (0.47) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL30630190 0.78 TUBB1 (0.40) ALDH1A1PTGS1MAPK1RAB9AHTT
SCHEMBL30315940 0.78 TUBB1 (0.40) ALDH1A1PTGS1MAPK1RAB9AHTT
SCHEMBL19756690 0.77 TUBB1 (0.41) ALDH1A1CYP3A4L3MBTL1MAPTMAPK1
SCHEMBL1429267 0.77 IDO1 (0.45) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL634310 0.77 ALDH1A1 (0.47) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL3365050 0.77 IDO1 (0.45) IDO1EP300KAT8ALDH1A1CYP3A4

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
CN-101020628-A Preparation method of 2, 4-difluoro-3-hydroxybenzoic acid CHEN WEIDONG (CN) 2007-08-22 CN claimed
CN-101020628-A Preparation method of 2, 4-difluoro-3-hydroxybenzoic acid CHEN WEIDONG (CN) 2007-08-22 CN disclosed