SCHEMBL4723755

SCHEMBL4723755

O=[N+]([O-])c1cnc2c(OCc3ccccc3)cccc2c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 6/20 0.55
▸ KMT2A Q03164 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ MEN1 O00255 4/20 0.45
▸ HTR1A P08908 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PTGES O14684 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ SGMS2 Q8NHU3 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL4723090 0.85 PIN1 (0.49) PIN1KMT2ANPC1RAB9AMEN1
SCHEMBL28926222 0.80 PIN1 (0.53) PIN1KMT2AMEN1GAALMNA
SCHEMBL168495 0.80 PIN1 (0.50) PIN1KMT2AMEN1HTR1AADRA1D
SCHEMBL31234027 0.80 PIN1 (0.53) PIN1KMT2ANPC1RAB9AMEN1
SCHEMBL1937604 0.80 PIN1 (0.53) PIN1KMT2ANPC1RAB9AMEN1
SCHEMBL23887837 0.79 ADORA1 (0.44) KMT2ANPC1RAB9AMEN1HTR1A
SCHEMBL16879230 0.77 KMT2A (0.60) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL23925083 0.77 PIN1 (0.45) PIN1KMT2ANPC1RAB9AMEN1
SCHEMBL29989486 0.77 PIN1 (0.45) PIN1KMT2ANPC1RAB9AMEN1
SCHEMBL31554570 0.77 PIN1 (0.49) PIN1

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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