SCHEMBL10364664

SCHEMBL10364664

CCOC(=O)c1c(C(F)(F)F)nc(C(F)(F)F)c(C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
IDO1 P14902 1/20 0.40
PDE4D Q08499 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RORC P51449 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL10370033 0.92 KDM4E (0.49) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10362987 0.91 KDM4E (0.42) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10363197 0.91 KDM4E (0.45) KDM4EMAPTKMT2APOLBALDH1A1
Ammonia Solution, Strong SCHEMBL10370588 0.90 KDM4E (0.48) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10333152 0.89 KDM4E (0.47) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726366 0.87 KDM4E (0.50) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9670057 0.85 KDM4E (0.44) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10362929 0.85 KDM4E (0.44) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10362915 0.84 KDM4E (0.41) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL6733600 0.83 KDM4E (0.45) KDM4EMAPTKMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0181852-B1 SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS Monsanto Company (US) 1990-08-29 EP disclosed
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