SCHEMBL7925318

SCHEMBL7925318

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
ATM Q13315 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
POLB P06746 2/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 8/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 2/20 0.42
XBP1 P17861 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL7932080 0.87 CHRNA7 (0.38) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL7932041 0.86 KDM4E (0.44) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL10699603 0.84 L3MBTL1 (0.51) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL7937932 0.80 CHRNA7 (0.35) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL8874390 0.80 GPR39 (0.37) ALDH1A1MAPTBLMKDM4ECYP2C19
SCHEMBL8874284 0.80 CYP1A2 (0.44) ALDH1A1KMT2AMAPTL3MBTL1BLM
SCHEMBL10698382 0.79 KDM4E (0.44) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL7934015 0.79 PGK1 (0.35) HPGDALDH1A1MAPTATMPOLB
SCHEMBL7934702 0.77 ATM (0.43) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL8874210 0.76 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2AATML3MBTL1

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