SCHEMBL6997749

SCHEMBL6997749

CN(CC(F)(F)F)c1c(-c2ccccc2F)c(Cl)nc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 9/20 0.39
MBOAT4 Q96T53 3/20 0.35
EGLN2 Q96KS0 1/20 0.35
ALDH1A1 P00352 5/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6994525 0.90 ENPP1 (0.36) ENPP1MBOAT4EGLN2ALDH1A1POLB
SCHEMBL6998183 0.89 ENPP1 (0.41) ENPP1MBOAT4ALDH1A1
SCHEMBL6992972 0.89 ENPP1 (0.39) ENPP1MBOAT4ALDH1A1POLBKMT2A
SCHEMBL6992998 0.89 MBOAT4 (0.36) ENPP1MBOAT4EGLN2ALDH1A1POLB
SCHEMBL6991743 0.88 ENPP1 (0.36) ENPP1MBOAT4EGLN2ALDH1A1POLB
SCHEMBL6994040 0.85 ENPP1 (0.34) ENPP1MBOAT4EGLN2ALDH1A1POLB
SCHEMBL6988393 0.83 MBOAT4 (0.33) ENPP1MBOAT4EGLN2ALDH1A1POLB
SCHEMBL6997752 0.83 ENPP1 (0.37) ENPP1MBOAT4ALDH1A1POLBKMT2A
SCHEMBL4817199 0.80 ENPP1 (0.40) ENPP1MBOAT4ALDH1A1POLBKMT2A
SCHEMBL6992163 0.79 ENPP1 (0.41) ENPP1MBOAT4EGLN2ALDH1A1POLB

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