SCHEMBL6990564

SCHEMBL6990564

CCN(CC(F)(F)F)c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
ENPP1 P22413 4/20 0.34
MBOAT4 Q96T53 3/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
CRHR1 P34998 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6998670 0.93 MBOAT4 (0.35) MAPK1LMNACYP1A2ALDH1A1KMT2A
SCHEMBL7833025 0.91 MAPK1 (0.44) MAPK1LMNACYP1A2ALDH1A1KMT2A
SCHEMBL6989209 0.90 ALDH1A1 (0.36) MAPK1LMNACYP1A2ALDH1A1KMT2A
SCHEMBL6993025 0.89 LMNA (0.37) MAPK1LMNACYP1A2ALDH1A1KMT2A
SCHEMBL4810611 0.89 ALDH1A1 (0.33) MAPK1LMNACYP1A2ALDH1A1KMT2A
SCHEMBL6997752 0.87 ENPP1 (0.37) MAPK1ALDH1A1KMT2APOLBTSHR
SCHEMBL6991919 0.87 MBOAT4 (0.32) MAPK1ALDH1A1KMT2APOLBTSHR
SCHEMBL4819476 0.85 MAPK1 (0.39) MAPK1LMNACYP1A2ALDH1A1KMT2A
SCHEMBL4819577 0.85 ALDH1A1 (0.35) MAPK1ALDH1A1KMT2APOLBTSHR
SCHEMBL6999097 0.85 ENPP1 (0.39) MAPK1LMNACYP1A2ALDH1A1KMT2A

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