SCHEMBL6992972

SCHEMBL6992972

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 11/20 0.39
MBOAT4 Q96T53 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.33

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
SCHEMBL6997749 0.89 ENPP1 (0.39) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6999659 0.89 ENPP1 (0.36) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6997752 0.89 ENPP1 (0.37) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6996424 0.89 MBOAT4 (0.38) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6993025 0.87 LMNA (0.37) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6997863 0.84 ENPP1 (0.34) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6997332 0.84 ENPP1 (0.39) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6990567 0.84 ENPP1 (0.34) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL7000728 0.83 ENPP1 (0.40) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL6998183 0.83 ENPP1 (0.41) ENPP1MBOAT4ALDH1A1BRD4

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 2 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