SCHEMBL6993025

SCHEMBL6993025

CCN(CC(F)(F)F)c1c(-c2c(F)cccc2F)c(Cl)nc2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
ENPP1 P22413 9/20 0.36
MBOAT4 Q96T53 3/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 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
SCHEMBL6999097 0.95 ENPP1 (0.39) LMNACYP1A2MAPK1ENPP1MBOAT4
SCHEMBL6996424 0.93 MBOAT4 (0.38) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6991743 0.90 ENPP1 (0.36) LMNACYP1A2MAPK1ENPP1MBOAT4
SCHEMBL6990564 0.89 MAPK1 (0.39) LMNACYP1A2MAPK1ENPP1MBOAT4
SCHEMBL6990567 0.89 ENPP1 (0.34) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL7000728 0.88 ENPP1 (0.40) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6992972 0.87 ENPP1 (0.39) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6998805 0.87 MBOAT4 (0.34) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6999659 0.85 ENPP1 (0.36) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6996291 0.84 ENPP1 (0.41) LMNACYP1A2MAPK1ENPP1MBOAT4

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