SCHEMBL5794741

SCHEMBL5794741

COC(=O)c1ccc([N+](=O)[O-])c(-c2ccc(OC)cc2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ ABCC1 P33527 1/20 0.48
▸ VCAM1 P19320 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ AR P10275 1/20 0.45

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
SCHEMBL310574 0.80 VCAM1 (0.58) HPGDALDH1A1NPSR1KMT2AMEN1
SCHEMBL2772078 0.79 KMT2A (0.54) HPGDALDH1A1NPSR1KMT2AMAPT
SCHEMBL498267 0.78 KDM4E (0.54) HPGDALDH1A1NPSR1KMT2AMEN1
SCHEMBL13011426 0.77 VCAM1 (0.53) HPGDALDH1A1NPSR1KMT2AMEN1
SCHEMBL30445111 0.77 ALDH1A1 (0.65) HPGDALDH1A1NPSR1KMT2AMEN1
SCHEMBL7566531 0.77 ALDH1A1 (0.65) HPGDALDH1A1NPSR1KMT2AMEN1
SCHEMBL268414 0.77 TDP1 (0.62) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL2314995 0.77 VCAM1 (0.50) HPGDALDH1A1NPSR1KMT2AMEN1
SCHEMBL30863327 0.76 VCAM1 (0.66) HPGDALDH1A1NPSR1KMT2AMEN1
SCHEMBL1316996 0.76 KDM4E (0.55) ALDH1A1NPSR1KMT2AMEN1MAPT

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-2006012310-A2 CARBAZOLE DERIVATIVES FOR TREATING POLYCYSTIC KIDNEY DISEASE GENZYME CORPORATION (US) 2006-02-02 — — WO disclosed
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