SCHEMBL8722892

SCHEMBL8722892

Cc1cc(Oc2ccnc(C(F)(F)C(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCN9A Q15858 9/20 0.40
FPR2 P25090 4/20 0.40
FFAR4 Q5NUL3 2/20 0.40
TRPV1 Q8NER1 1/20 0.36
BLM P54132 1/20 0.35
S1PR1 P21453 1/20 0.34
TRPV3 Q8NET8 1/20 0.34

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
SCHEMBL7009823 0.82 S1PR1 (0.48) MAPK1MEN1CYP1A2MAPTCYP2C9
SCHEMBL8720836 0.80 KMT2A (0.36) MEN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL7006435 0.77 L3MBTL1 (0.58) MAPK1MEN1CYP1A2MAPTCYP2C9
SCHEMBL7009043 0.73 S1PR1 (0.53) CYP1A2CYP2C9SCN9AFPR2TRPV1
SCHEMBL5215907 0.72 MAPT (0.48) MAPK1MEN1CYP1A2MAPTCYP2C9
SCHEMBL7006071 0.71 S1PR1 (0.48) CYP1A2CYP2C9SCN9AFPR2TRPV1
SCHEMBL7004883 0.71 L3MBTL1 (0.56) MAPK1MEN1CYP1A2MAPTCYP2C9
SCHEMBL7006595 0.70 MAPK1 (0.46) MAPK1MEN1CYP1A2MAPTCYP2C9
SCHEMBL2616101 0.70 LMNA (0.50) MAPK1MAPTS1PR1
SCHEMBL5214412 0.70 MAPT (0.45) MAPK1MEN1CYP1A2MAPTCYP2C9

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
EP-0823431-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1998-02-11 EP claimed
EP-0823431-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1998-02-11 EP disclosed