SCHEMBL6995709

SCHEMBL6995709

Fc1cccc(Cl)c1-c1c(Cl)nc2ncnn2c1NC(c1ccccc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
GAA P10253 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
ENPP1 P22413 1/20 0.31

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
SCHEMBL6995939 0.95 ALDH1A1 (0.34) LMNAALDH1A1HPGDPOLBKDM4E
SCHEMBL6996012 0.88 ALDH1A1 (0.34) LMNAALDH1A1HPGDPOLBKDM4E
SCHEMBL4820259 0.87 ALDH1A1 (0.35) LMNAALDH1A1HPGDPOLBKDM4E
SCHEMBL6995720 0.87 LMNA (0.36) LMNAALDH1A1HPGDPOLBKDM4E
SCHEMBL4819474 0.85 ALDH1A1 (0.34) LMNAALDH1A1POLBGAAMEN1
SCHEMBL7262159 0.82 LMNA (0.39) LMNAALDH1A1HPGDPOLBGAA
SCHEMBL4819838 0.81 ALDH1A1 (0.34) LMNAALDH1A1POLBGAAMEN1
SCHEMBL4819631 0.79 IDH1 (0.36) ALDH1A1HPGDPOLBGAAMEN1
SCHEMBL3185139 0.79 LMNA (0.35) LMNAALDH1A1HPGDGAAMEN1
SCHEMBL5936228 0.79 CRHR1 (0.38) LMNAALDH1A1POLBKDM4EGAA

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
EP-0975635-B1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-05-07 EP claimed
EP-0975635-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP claimed
WO-1998046608-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 WO claimed
EP-0975635-B1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-05-07 EP disclosed
EP-0975635-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP disclosed
WO-1998046608-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 WO disclosed