SCHEMBL7464652

SCHEMBL7464652

Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)s2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 5/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NPSR1 Q6W5P4 3/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
POLB P06746 2/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL8653740 0.82 MAPT (0.45) ALDH1A1KDM4EL3MBTL1MAPTMAPK1
SCHEMBL5212887 0.82 MAPT (0.42) FFAR4ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL7006435 0.81 L3MBTL1 (0.58) FFAR4ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL8653398 0.79 MAPT (0.46) ALDH1A1KDM4EL3MBTL1MAPTMAPK1
SCHEMBL7004883 0.79 L3MBTL1 (0.56) FFAR4ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL17623901 0.79 ALDH1A1 (0.53) FFAR4ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL7006421 0.77 MAPT (0.53) FFAR4ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL17608849 0.76 ALDH1A1 (0.51) FFAR4ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL7007084 0.76 FFAR4 (0.49) FFAR4ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL19317591 0.74 ALDH1A1 (0.49) FFAR4ALDH1A1KDM4EL3MBTL1MAPT

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-0819690-B1 Herbicidal 6-thienyl and 4-thienyl pyrimidines BASF AG (DE) 2002-10-09 EP claimed
US-5922726-A Herbicidal 6-thienyl pyridines and 4-thienyl pyrimidines AMERICAN CYANAMID COMPANY (US) 1999-07-13 US claimed
EP-0819690-A2 Herbicidal 6-thienyl and 4-thienyl pyrimidines American Cyanamid Company (US) 1998-01-21 EP claimed