SCHEMBL1469792

SCHEMBL1469792

O=P(F)(OCC(F)(F)F)Oc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
NPSR1 Q6W5P4 2/20 0.40
XBP1 P17861 1/20 0.40
LMNA P02545 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 2/20 0.33
CXCL8 P10145 1/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL1469526 0.88 HTT (0.45) HTTNPSR1XBP1LMNACYP1A2
SCHEMBL778403 0.83 HTT (0.46) HTTNPSR1XBP1LMNACYP1A2
SCHEMBL4946769 0.80 LMNA (0.50) HTTNPSR1XBP1LMNACYP1A2
SCHEMBL1471610 0.80 NPSR1 (0.49) HTTNPSR1XBP1LMNACYP1A2
SCHEMBL781642 0.78 HTT (0.43) HTTNPSR1XBP1LMNACYP1A2
SCHEMBL29468646 0.78 HTT (0.43) HTTNPSR1XBP1LMNACYP1A2
SCHEMBL1471543 0.78 SMN1; SMN2 (0.47) HTTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL780812 0.78 HTT (0.43) HTTNPSR1XBP1LMNACYP1A2
SCHEMBL1471613 0.74 LMNA (0.49) HTTNPSR1XBP1LMNACYP1A2
SCHEMBL778209 0.74 HTT (0.44) HTTNPSR1XBP1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120171542-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2012-07-05 US disclosed
US-20110159379-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2011-06-30 US disclosed
US-20110070504-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2011-03-24 US disclosed