SCHEMBL4723090

SCHEMBL4723090

O=[N+]([O-])c1cnc2c(OCc3ccccc3)cccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.49
▸ KMT2A Q03164 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ SGMS2 Q8NHU3 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PTGES O14684 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 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
SCHEMBL4723755 0.85 PIN1 (0.55) PIN1KMT2ANPC1MEN1SGMS2
SCHEMBL29206007 0.80 ALDH1A1 (0.49) PIN1KMT2ANPC1MEN1RAB9A
SCHEMBL5594949 0.80 HTR1A (0.53) PIN1KMT2ANPC1MEN1SGMS2
SCHEMBL16879230 0.77 KMT2A (0.60) KMT2ANPC1MEN1RAB9ACTSB
SCHEMBL31554583 0.77 ABCG2 (0.48) KMT2AMEN1
SCHEMBL311213 0.76 MEN1 (0.48) PIN1KMT2ANPC1MEN1RAB9A
SCHEMBL1486647 0.76 BACE1 (0.50) PIN1KMT2ANPC1MEN1RAB9A
SCHEMBL6823293 0.75 HTR1A (0.49) PIN1KMT2ANPC1MEN1SGMS2
SCHEMBL30015078 0.75 NPC1 (0.68) PIN1KMT2ANPC1MEN1SGMS2
SCHEMBL2305236 0.75 NPC1 (0.68) PIN1KMT2ANPC1MEN1SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101330916-A Substituted imidazoquinolines, imidazonaphthyridines, and imidazopyridines, compositions, and methods thereof COLEY PHARMACEUTICAL INC (US) 2008-12-24 — — CN disclosed
EP-1968587-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS Coley Pharmaceutical, Inc. (US) 2008-09-17 — — EP disclosed
WO-2007075468-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-05 — — WO disclosed
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