SCHEMBL9185017

SCHEMBL9185017

Nc1nc(OC(F)(F)F)nc(OC(F)(F)F)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
SLC6A2 P23975 1/20 0.32
SCN4A P35499 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL7798194 0.89 HSD17B10 (0.36) DHFRLMNATP53GAAHSD17B10
SCHEMBL7798088 0.86 MPL (0.32) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL9185428 0.84 HSP90AA1 (0.42) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL9190088 0.84 TSHR (0.35) NPC1RAB9ALMNAALOX15SMN1; SMN2
SCHEMBL7806805 0.84 MEN1 (0.34) NPC1RAB9ALMNACYP1A2PDE4D
SCHEMBL7798101 0.81 CHRNA7 (0.37) DHFRLMNATP53GAASMN1; SMN2
SCHEMBL9199934 0.81 HSP90AB1 (0.48) DHFRHSP90AA1HSP90AB1
SCHEMBL9185349 0.80
SCHEMBL9201644 0.80 MAPT (0.38) MAPK1
SCHEMBL7804027 0.80 ALDH1A1 (0.39) DHFRRAB9ALMNACYP1A2BLM

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
EP-0469462-B1 2-Amino-(fluoroalkoxy-1,3,5-triazines) and method for their preparation BASF AG (DE) 1995-10-11 EP disclosed
US-5342939-A 2-amino-4-fluoroalkoxy-1,3,5-triazines and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed
US-5214143-A 2-AMINO-4-FLUOROALKOXY-1,3,5-TRIAZINES AND THE PREPARATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
EP-0469462-A1 2-Amino-(fluoroalkoxy-1,3,5-triazines) and method for their preparation BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed