SCHEMBL14744388

SCHEMBL14744388

O=[N+]([O-])c1cccc(-c2ccccc2OC(F)(F)F)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 4/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
S100A4 P26447 2/20 0.39
PTPRC P08575 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37

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
SCHEMBL6112961 0.80 ALDH1A1 (0.58) HPGDALDH1A1TDP1NPC1RECQL
SCHEMBL29469206 0.80 ALDH1A1 (0.58) HPGDALDH1A1TDP1NPC1RECQL
SCHEMBL28024174 0.79 HPGD (0.61) HPGDALDH1A1TDP1NPC1RECQL
SCHEMBL29804797 0.75 HSPB1 (0.45) HPGDALDH1A1TDP1NPC1RECQL
SCHEMBL1459508 0.75 GPR35 (0.49) HPGDALDH1A1TDP1NPC1RECQL
SCHEMBL18663645 0.75 HSPB1 (0.45) HPGDALDH1A1TDP1NPC1RECQL
SCHEMBL14746593 0.75 HSD17B10 (0.45) HPGDALDH1A1NPC1RAB9AS100A4
SCHEMBL14746574 0.75 HSD17B10 (0.45) HPGDALDH1A1TDP1NPC1RAB9A
SCHEMBL14744548 0.74 MPL (0.41) ALDH1A1POLBL3MBTL1
SCHEMBL27843148 0.74 TDP1 (0.58) ALDH1A1TDP1NPC1RECQLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed