SCHEMBL6992163

SCHEMBL6992163

FC(F)(F)CN(CC(F)(F)F)c1c(-c2ccccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.41
ALDH1A1 P00352 4/20 0.39
MBOAT4 Q96T53 3/20 0.37
EGLN2 Q96KS0 1/20 0.37
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
POLB P06746 1/20 0.34
PDE2A O00408 4/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6996291 0.94 ENPP1 (0.41) ENPP1ALDH1A1MBOAT4EGLN2PDE2A
SCHEMBL6998040 0.91 ENPP1 (0.37) ENPP1ALDH1A1MBOAT4EGLN2KDM4E
SCHEMBL6992998 0.90 MBOAT4 (0.36) ENPP1ALDH1A1MBOAT4EGLN2KDM4E
SCHEMBL4817199 0.89 ENPP1 (0.40) ENPP1ALDH1A1MBOAT4KDM4EHPGD
SCHEMBL7000728 0.84 ENPP1 (0.40) ENPP1ALDH1A1MBOAT4KDM4EHPGD
SCHEMBL6999096 0.84 ENPP1 (0.38) ENPP1ALDH1A1MBOAT4LMNA
SCHEMBL6991743 0.84 ENPP1 (0.36) ENPP1ALDH1A1MBOAT4EGLN2KDM4E
SCHEMBL6996424 0.83 MBOAT4 (0.38) ENPP1ALDH1A1MBOAT4KDM4EHPGD
SCHEMBL4819717 0.81 ENPP1 (0.36) ENPP1ALDH1A1MBOAT4
SCHEMBL6988393 0.81 MBOAT4 (0.33) ENPP1ALDH1A1MBOAT4EGLN2KDM4E

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