SCHEMBL7932080

SCHEMBL7932080

CNc1nc(OC(F)(F)F)cc(OC(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
IDH2 P48735 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
GPR39 O43194 2/20 0.35
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ATM Q13315 1/20 0.33
PGK1 P00558 1/20 0.33
CFTR P13569 1/20 0.32
LMNA P02545 1/20 0.32
PDE4A P27815 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31
IDH1 O75874 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8874284 0.92 CYP1A2 (0.44) CHRNA7IDH2KMT2ACYP1A2ALDH1A1
SCHEMBL8874390 0.88 GPR39 (0.37) CHRNA7IDH2TDP1GPR39ALDH1A1
SCHEMBL7937932 0.88 CHRNA7 (0.35) CHRNA7IDH2TDP1GPR39HPGD
SCHEMBL8874210 0.88 SMN1; SMN2 (0.39) CHRNA7TDP1GPR39MEN1KMT2A
SCHEMBL7934015 0.87 PGK1 (0.35) CHRNA7IDH2TDP1GPR39HPGD
SCHEMBL7925318 0.87 HPGD (0.45) CHRNA7IDH2HPGDMEN1KMT2A
SCHEMBL8873701 0.84 NUDT1 (0.38) CHRNA7IDH2GPR39MEN1KMT2A
SCHEMBL7934055 0.83 IDH2 (0.34) CHRNA7IDH2TDP1GPR39HPGD
SCHEMBL8873315 0.81 GPR39 (0.41) CHRNA7TDP1GPR39HPGDMEN1
SCHEMBL7805860 0.77 CYP1A2 (0.42) CHRNA7KMT2ACYP1A2ALDH1A1MAPT

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
US-6235904-B1 VALUABLE INTERMEDIATES FOR ORGANIC SYNTHESES, ESPECIALLY FOR PREPARING CROP PROTECTION AGENTS. BASF AKTIENGESELLSCHAFT (DE) 2001-05-22 US disclosed
EP-0445642-B1 2-Amino-(fluoralkoxy-pyrimidines) and process for their preparation BASF AG (DE) 1995-07-12 EP disclosed
US-5283332-A 2-amino(fluoroalkoxy)pyrimidines and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1994-02-01 US disclosed
EP-0445642-A1 2-Amino-(fluoralkoxy-pyrimidines) and process for their preparation BASF Aktiengesellschaft (DE) 1991-09-11 EP disclosed