SCHEMBL9505481

SCHEMBL9505481

Cc1c(OCC(F)(F)C(F)(F)F)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RECQL P46063 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 6/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9508095 0.92 TDP1 (0.47) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL7492950 0.85 RAB9A (0.62) TDP1SMN1; SMN2RECQLNPC1RAB9A
SCHEMBL9507212 0.84 TDP1 (0.55) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL30072726 0.79 TDP1 (0.60) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL1141627 0.79 TDP1 (0.60) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL29229957 0.78 TDP1 (0.69) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL27843148 0.77 TDP1 (0.58) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL1616773 0.77 TDP1 (0.58) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL26132980 0.76 RAB9A (0.57) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL9685075 0.75 TDP1 (0.38) TDP1TSHRSMN1; SMN2ALDH1A1HTT

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
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP disclosed