SCHEMBL6923835

SCHEMBL6923835

NC(=O)OC(Cn1cccn1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP19A1 P11511 1/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KLF5 Q13887 1/20 0.36
GAA P10253 1/20 0.36
NLRP3 Q96P20 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FDPS P14324 1/20 0.35

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
SCHEMBL6919302 0.84 TSHR (0.43) TSHRCYP19A1SMN1; SMN2NLRP3HTT
SCHEMBL4304473 0.83 TSHR (0.39) TSHRCYP19A1RAB9AMAPTLMNA
SCHEMBL4313108 0.77 TSHR (0.35) TSHRRAB9AMAPTLMNAKDM4E
SCHEMBL28693817 0.74 GSK3B (0.45) TSHRMAPTLMNAKDM4EALDH1A1
SCHEMBL6682451 0.73 KMT2A (0.47) RAB9AMAPTLMNAALDH1A1KMT2A
SCHEMBL6923839 0.72 MAPT (0.41) TSHRCYP19A1RAB9AMAPTLMNA
SCHEMBL28697186 0.70 ALDH1A1 (0.42) TSHRMAPTLMNAALDH1A1KMT2A
SCHEMBL7094207 0.69 CYP19A1 (0.55) CYP19A1MAPTLMNAKDM4EKMT2A
SCHEMBL28362285 0.68 L3MBTL1 (0.50) TSHRCYP19A1RAB9AMAPTLMNA
SCHEMBL6678954 0.67 CAPN1 (0.38) TSHRRAB9AMAPTALDH1A1KMT2A

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-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed