SCHEMBL6994525

SCHEMBL6994525

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 6/20 0.36
MBOAT4 Q96T53 3/20 0.34
EGLN2 Q96KS0 1/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
PDE2A O00408 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 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
SCHEMBL6999659 0.90 ENPP1 (0.36) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL6997749 0.90 ENPP1 (0.39) ENPP1MBOAT4EGLN2ALDH1A1KMT2A
SCHEMBL6992998 0.87 MBOAT4 (0.36) ENPP1MBOAT4EGLN2ALDH1A1KMT2A
SCHEMBL6994040 0.87 ENPP1 (0.34) ENPP1MBOAT4EGLN2ALDH1A1KMT2A
SCHEMBL6997332 0.87 ENPP1 (0.39) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL6991743 0.86 ENPP1 (0.36) ENPP1MBOAT4EGLN2ALDH1A1KMT2A
SCHEMBL4819577 0.83 ALDH1A1 (0.35) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL6997863 0.83 ENPP1 (0.34) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL6994780 0.82 NR1H2 (0.35) ENPP1MBOAT4ALDH1A1KMT2APOLB
SCHEMBL6988393 0.81 MBOAT4 (0.33) ENPP1MBOAT4EGLN2ALDH1A1KMT2A

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 6 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-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP claimed
WO-1998046608-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 WO 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