SCHEMBL8550301

SCHEMBL8550301

Nc1cc([N+](=O)[O-])cc2c1OCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.41
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 4/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
TLR9 Q9NR96 1/20 0.37
PARP1 P09874 1/20 0.37
TDP1 Q9NUW8 6/20 0.37
POLB P06746 3/20 0.37
APEX1 P27695 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL10580640 0.81 ALDH1A1 (0.41) GPR35MAPTALDH1A1CYP3A4TSHR
SCHEMBL29814297 0.80 GPR35 (0.43) GPR35MAPTALDH1A1CYP3A4GAA
SCHEMBL7484667 0.80 ALDH1A1 (0.42) GPR35MAPTALDH1A1CYP3A4TSHR
SCHEMBL7084146 0.80 MEN1 (0.46) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL1979879 0.80 PARP1 (0.41) GPR35MAPTALDH1A1CYP3A4TSHR
SCHEMBL15427979 0.80 ALDH1A1 (0.48) GPR35MAPTALDH1A1CYP3A4GAA
SCHEMBL8550097 0.80 GPR35 (0.43) GPR35MAPTALDH1A1CYP3A4GAA
SCHEMBL8117804 0.80 ALDH1A1 (0.42) MAPTALDH1A1CYP3A4GAATSHR
SCHEMBL727921 0.76 PARP1 (0.44) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL31239506 0.76 HTR1A (0.40) MEN1KMT2ARAB9APARP1SMN1; SMN2

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