SCHEMBL9799547

SCHEMBL9799547

COc1ccc(C(/C=N\O)C(F)(F)Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
AOC3 Q16853 2/20 0.35
ACP3 P15309 1/20 0.35

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
SCHEMBL9799512 0.84 PDE2A (0.42) ALDH1A1TSHRTDP1L3MBTL1KMT2A
SCHEMBL9799551 0.80 TSHR (0.41) ALDH1A1TSHRMAPK1TDP1KMT2A
SCHEMBL28708881 0.74 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL8025197 0.74 AOC3 (0.43) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL27602407 0.72 LMNA (0.40) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL6182309 0.71 CYP1A2 (0.53) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL27447753 0.70 ABCB11 (0.42) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL9570869 0.69 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL7605180 0.66 MAPK1 (0.53) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL5865854 0.66 MEN1 (0.51) ALDH1A1TSHRMAPK1TDP1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4707182-A Phenoxine-ketal ethers, compositions containing them and the use thereof CIBA-GEIGY CORPORATION (US) 1987-11-17 US disclosed
US-4576628-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-03-18 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed
US-4530716-A Plant safening agent CIBA-GEIGY CORPORATION (US) 1985-07-23 US disclosed