SCHEMBL6992998

SCHEMBL6992998

Fc1ccccc1-c1c(Cl)nc2ncnn2c1N(CC(F)(F)F)CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.36
EGLN2 Q96KS0 1/20 0.36
ENPP1 P22413 6/20 0.36
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6991743 0.94 ENPP1 (0.36) MBOAT4EGLN2ENPP1ALDH1A1KDM4E
SCHEMBL6988393 0.91 MBOAT4 (0.33) MBOAT4EGLN2ENPP1ALDH1A1KDM4E
SCHEMBL6994040 0.91 ENPP1 (0.34) MBOAT4EGLN2ENPP1ALDH1A1KDM4E
SCHEMBL6992163 0.90 ENPP1 (0.41) MBOAT4EGLN2ENPP1ALDH1A1KDM4E
SCHEMBL6997749 0.89 ENPP1 (0.39) MBOAT4EGLN2ENPP1ALDH1A1KDM4E
SCHEMBL6996424 0.89 MBOAT4 (0.38) MBOAT4ENPP1ALDH1A1KDM4EHPGD
SCHEMBL4817199 0.88 ENPP1 (0.40) MBOAT4ENPP1ALDH1A1KDM4EHPGD
SCHEMBL6994525 0.87 ENPP1 (0.36) MBOAT4EGLN2ENPP1ALDH1A1KDM4E
SCHEMBL7000728 0.86 ENPP1 (0.40) MBOAT4ENPP1ALDH1A1KDM4EHPGD
SCHEMBL6996291 0.84 ENPP1 (0.41) MBOAT4EGLN2ENPP1ALDH1A1

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 4 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-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