SCHEMBL6994040

SCHEMBL6994040

CC(C)CN(CC(F)(F)F)c1c(-c2ccccc2F)c(Cl)nc2ncnn12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 6/20 0.34
MBOAT4 Q96T53 3/20 0.33
ALDH1A1 P00352 5/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
APP P05067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL6992998 0.91 MBOAT4 (0.36) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL4819717 0.90 ENPP1 (0.36) ENPP1MBOAT4ALDH1A1KMT2AMEN1
SCHEMBL6990567 0.90 ENPP1 (0.34) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL6991743 0.89 ENPP1 (0.36) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL6996482 0.88 ENPP1 (0.38) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL6994525 0.87 ENPP1 (0.36) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL6997749 0.85 ENPP1 (0.39) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL6988393 0.85 MBOAT4 (0.33) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL4810611 0.84 ALDH1A1 (0.33) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL4817199 0.82 ENPP1 (0.40) ENPP1MBOAT4ALDH1A1KMT2APOLB

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