SCHEMBL6996424

SCHEMBL6996424

Fc1cccc(F)c1-c1c(Cl)nc2ncnn2c1N(CC(F)(F)F)CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.38
ENPP1 P22413 7/20 0.36
ALDH1A1 P00352 7/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 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
SCHEMBL7000728 0.94 ENPP1 (0.40) MBOAT4ENPP1ALDH1A1POLBTSHR
SCHEMBL6993025 0.93 LMNA (0.37) MBOAT4ENPP1ALDH1A1POLBTSHR
SCHEMBL6998805 0.91 MBOAT4 (0.34) MBOAT4ENPP1ALDH1A1POLBTSHR
SCHEMBL6990567 0.91 ENPP1 (0.34) MBOAT4ENPP1ALDH1A1POLBTSHR
SCHEMBL6992998 0.89 MBOAT4 (0.36) MBOAT4ENPP1ALDH1A1POLBTSHR
SCHEMBL6992972 0.89 ENPP1 (0.39) MBOAT4ENPP1ALDH1A1POLBTSHR
SCHEMBL6999097 0.88 ENPP1 (0.39) MBOAT4ENPP1ALDH1A1POLBTSHR
SCHEMBL6998670 0.88 MBOAT4 (0.35) MBOAT4ENPP1ALDH1A1POLBTSHR
SCHEMBL6999659 0.87 ENPP1 (0.36) MBOAT4ENPP1ALDH1A1POLBTSHR
SCHEMBL6996482 0.86 ENPP1 (0.38) MBOAT4ENPP1ALDH1A1POLBTSHR

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