SCHEMBL8833707

SCHEMBL8833707

O=[C]c1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
TDP1 Q9NUW8 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR35 Q9HC97 2/20 0.46
DNA2 P51530 1/20 0.46
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CTSD P07339 1/20 0.44
POLB P06746 1/20 0.43
GLA P06280 1/20 0.43
DTYMK P23919 1/20 0.42
APEX1 P27695 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL8082547 0.86 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1GPR35
SCHEMBL28423348 0.85 TSHR (0.58) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL5780887 0.81 TDP1 (0.56) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL3671 0.78 TSHR (0.68) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL8610738 0.78 TSHR (0.68) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL29471725 0.78 TSHR (0.68) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL30893562 0.78 TSHR (0.68) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL29696138 0.77 TSHR (0.67) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL30727560 0.77 TSHR (0.67) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL78205 0.77 TSHR (0.67) TSHRTDP1L3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed