SCHEMBL28285992

SCHEMBL28285992

C=CC(F)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42

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
Water SCHEMBL10694248 0.93 CA12 (0.48) ALDH1A1MAPTMEN1KMT2AL3MBTL1
Ether SCHEMBL10694243 0.84 CA1 (0.41) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL463611 0.77 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL9300709 0.77 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL6691324 0.77 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL8408254 0.76 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL11695567 0.75 HSD17B10 (0.54) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL9001709 0.74 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL2853294 0.74 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL6823057 0.74 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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-109678741-A The preparation method of 4- amino -3- fluobenzoic acid 金凯(辽宁)化工有限公司 2019-04-26 CN disclosed