SCHEMBL4253885

SCHEMBL4253885

O=[N+]([O-])c1ccccc1C(F)(OC(F)(c1ccccc1[N+](=O)[O-])C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 4/20 0.46
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR35 Q9HC97 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL22345159 0.79 NPSR1 (0.47) NPSR1ALDH1A1TDP1NPC1RECQL
SCHEMBL1999849 0.79 ALDH1A1 (0.50) NPSR1ALDH1A1TDP1NPC1RECQL
SCHEMBL30627320 0.79 ALDH1A1 (0.50) NPSR1ALDH1A1TDP1NPC1RECQL
SCHEMBL4253886 0.79 NPSR1 (0.47) NPSR1ALDH1A1TDP1NPC1RECQL
SCHEMBL29003821 0.74 NPSR1 (0.46) NPSR1ALDH1A1TDP1HSD17B10PDK1
SCHEMBL5180040 0.72 NPSR1 (0.51) NPSR1ALDH1A1TDP1NPC1RECQL
SCHEMBL1341293 0.72 HPGD (0.58) NPSR1ALDH1A1TDP1NPC1RECQL
SCHEMBL28870196 0.71 ALDH1A1 (0.48) NPSR1ALDH1A1TDP1HSD17B10HPGD
SCHEMBL10949686 0.71 ALDH1A1 (0.55) ALDH1A1TDP1NPC1RECQLRAB9A
SCHEMBL12003841 0.71 NPSR1 (0.51) NPSR1ALDH1A1TDP1HSD17B10L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491345-B2 Extraction mixture for recovery of actinide elements from acidic solutions JAPAN NUCLEAR CYCLE DEVELOPMENT INSTITUTE (JP) 2009-02-17 US disclosed
US-20060033085-A1 Extraction mixture for recovery of actinide elements from acidic solutions JAPAN ATOMIC ENERGY AGENCY, INDEPENDENT ADMINISTRATIVE CORPORATION (JP) 2006-02-16 US disclosed