SCHEMBL10786013

SCHEMBL10786013

CCOC(=O)c1c(OC)cc(C(F)(F)Cl)nc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 5/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
IDO1 P14902 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
RORC P51449 1/20 0.38
ATF1 P18846 1/20 0.38
NFKB1 P19838 1/20 0.38
LMNA P02545 3/20 0.38
PKM P14618 1/20 0.38
HSD17B2 P37059 1/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL10363611 0.91 KDM4E (0.44) ALDH1A1L3MBTL1KDM4EGAAHPGD
SCHEMBL10362994 0.90 KDM4E (0.44) ALDH1A1L3MBTL1KDM4EHPGDIDO1
SCHEMBL10364782 0.87 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EHPGDIDO1
SCHEMBL10362995 0.86 KDM4E (0.40) ALDH1A1L3MBTL1KDM4EHPGDIDO1
SCHEMBL10364605 0.86 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EHPGDIDO1
SCHEMBL10362921 0.85 NR1H2 (0.48) ALDH1A1L3MBTL1KDM4EGAAHPGD
SCHEMBL10869012 0.84 ALDH1A1 (0.36) ALDH1A1L3MBTL1KDM4EGAAHPGD
SCHEMBL10351657 0.83 KDM4E (0.44) ALDH1A1L3MBTL1KDM4EGAAHPGD
SCHEMBL10363030 0.81 KDM4E (0.47) ALDH1A1L3MBTL1KDM4EHPGDIDO1
SCHEMBL22093090 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EGAAHPGD

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
US-4655816-A PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1987-04-07 US disclosed
EP-0181852-A1 Substituted 2,6-substituted pyridine compounds Monsanto Company (US) 1986-05-21 EP disclosed