SCHEMBL3125877

SCHEMBL3125877

COCCNc1cc([N+](=O)[O-])ccc1OCCOC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 3/20 0.54
MAPT P10636 7/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 3/20 0.51
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
HTT P42858 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10821300 0.89 MAPT (0.51) TSHRTDP1LMNAMAPTMEN1
SCHEMBL3880017 0.84 CYP19A1 (0.64) TSHRLMNAMAPTMEN1KMT2A
SCHEMBL9681150 0.83 LMNA (0.60) TSHRTDP1LMNAMAPTMEN1
SCHEMBL2729695 0.82 ALDH1A1 (0.63) TSHRTDP1LMNAMAPTMEN1
SCHEMBL3128740 0.82 MEN1 (0.58) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL28090620 0.82 MEN1 (0.58) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL2002273 0.81 MAPT (0.55) TSHRTDP1LMNAMAPTMEN1
SCHEMBL28090618 0.81 MAPT (0.45) TSHRTDP1LMNAMAPTMEN1
SCHEMBL10139199 0.80 LMNA (0.55) TSHRTDP1LMNAMAPTMEN1
SCHEMBL2716434 0.79 LMNA (0.70) TDP1LMNAMAPTMEN1KMT2A

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-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed