SCHEMBL8545671

SCHEMBL8545671

CN(C)C=CC(=O)c1cc([N+](=O)[O-])cc2c1OCC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.46
PARP1 P09874 2/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL8550081 0.80 PARP1 (0.43) ALDH1A1MAPTRAB9AHTTPARP1
SCHEMBL29814344 0.79 PARP1 (0.43) ALDH1A1MAPTRAB9AHTTPARP1
SCHEMBL8545255 0.79 PARP1 (0.43) ALDH1A1MAPTRAB9AHTTPARP1
SCHEMBL727921 0.78 PARP1 (0.44) ALDH1A1MAPTHTTPARP1KMT2A
SCHEMBL29814297 0.70 GPR35 (0.43) ALDH1A1MAPTRAB9AHTTPARP1
SCHEMBL7484667 0.70 ALDH1A1 (0.42) ALDH1A1MAPTHTTPARP1KMT2A
SCHEMBL8550097 0.70 GPR35 (0.43) ALDH1A1MAPTRAB9AHTTPARP1
SCHEMBL29206929 0.70 L3MBTL1 (0.62) ALDH1A1MAPTRAB9AHTTKMT2A
SCHEMBL30407930 0.70 L3MBTL1 (0.62) ALDH1A1MAPTRAB9AHTTKMT2A
SCHEMBL25338029 0.69 ALDH1A1 (0.59) ALDH1A1MAPTRAB9AHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736025-B1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT1D ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-07-22 EP disclosed
US-5700818-A Dihydrobenzofuranyl-biphenyl carboxamides having 5HT1D antagonistic activity SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-23 US disclosed
EP-0736025-A1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT 1D? ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-10-09 EP disclosed
WO-1995017401-A1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT1D ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-06-29 WO disclosed