SCHEMBL11026430

SCHEMBL11026430

C=C(CCCc1cccc([N+](=O)[O-])c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.43
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FBP1 P09467 1/20 0.36

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
SCHEMBL22614890 0.86 GPR35 (0.47) GPR35RAB9ANPC1TSHRALDH1A1
SCHEMBL5080966 0.83 GPR35 (0.47) GPR35RAB9ANPC1TSHRALDH1A1
SCHEMBL1628402 0.80 ALDH1A1 (0.50) RAB9ANPC1TSHRALDH1A1KDM4E
SCHEMBL27868260 0.76 SIGMAR1 (0.55) GPR35RAB9ANPC1TSHRALDH1A1
SCHEMBL14845129 0.76 GPR35 (0.49) GPR35TSHRALDH1A1KDM4ETDP1
SCHEMBL10977025 0.75 TSHR (0.51) GPR35TSHRALDH1A1KMT2AMEN1
SCHEMBL9819807 0.75 TSHR (0.47) GPR35TSHRALDH1A1TDP1
SCHEMBL27930026 0.75 ALDH1A1 (0.51) RAB9ANPC1TSHRALDH1A1KDM4E
SCHEMBL94769 0.75 GPR35 (0.55) GPR35TSHRALDH1A1TDP1L3MBTL1
SCHEMBL11029380 0.74 MAOB (0.40) GPR35RAB9ANPC1TSHRALDH1A1

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
EP-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP claimed