SCHEMBL6997752

SCHEMBL6997752

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 6/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MBOAT4 Q96T53 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
BRD4 O60885 1/20 0.33
PDE2A O00408 2/20 0.33
HPGD P15428 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
SCHEMBL4819577 0.89 ALDH1A1 (0.35) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL6992972 0.89 ENPP1 (0.39) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL6998670 0.89 MBOAT4 (0.35) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL6990564 0.87 MAPK1 (0.39) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL6989209 0.85 ALDH1A1 (0.36) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL4810611 0.84 ALDH1A1 (0.33) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL7833588 0.83 ENPP1 (0.36) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL6997749 0.83 ENPP1 (0.39) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL7833106 0.83 ENPP1 (0.36) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL4820350 0.83 ENPP1 (0.36) ENPP1ALDH1A1KMT2APOLBTSHR

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 8 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
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US disclosed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP disclosed
EP-0975634-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP disclosed
EP-0975635-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP disclosed
WO-1998046607-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 WO disclosed
WO-1998046608-A1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 WO disclosed