SCHEMBL2653482

SCHEMBL2653482

[c]1c[nH]c(-c2ccccn2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
LMNA P02545 6/20 0.48
METAP1 P53582 4/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
HIF1A Q16665 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
NPY5R Q15761 1/20 0.46
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
PKM P14618 4/20 0.44
ALOX15 P16050 3/20 0.44
TDP1 Q9NUW8 3/20 0.44

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
SCHEMBL4046862 0.73 MEN1 (0.55) KDM4ELMNACYP1A2POLBNPY5R
SCHEMBL403894 0.71 MTOR (0.43) KDM4ECYP1A2NPY5RNPC1RAB9A
SCHEMBL2476969 0.71 KDM4E (0.50) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL30403779 0.71 KDM4E (0.50) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL16817999 0.69 MTOR (0.57) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL5478697 0.69 KDM4E (0.59) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL29351528 0.68 KDM4E (1.00) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL29907716 0.68 KDM4E (1.00) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL3711450 0.68 KDM4E (1.00) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL5922 0.68 KDM4E (1.00) KDM4ELMNAMETAP1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP disclosed
EP-1799241-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2007-06-27 EP disclosed
WO-2006036770-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2006-04-06 WO disclosed
EP-1635832-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES Merck & Co., Inc. (US) 2006-03-22 EP disclosed
EP-1635813-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA Merck & Co. Inc. (US) 2006-03-22 EP disclosed
EP-1635773-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (a New Jersey corp.) (US) 2006-03-22 EP disclosed
WO-2005000217-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO., INC. (US) 2005-01-06 WO disclosed
WO-2004110375-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-12-23 WO disclosed
WO-2004110368-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2004-12-23 WO disclosed
US-5410052-A Useful for extraction of ligand such as molecular oxygen from fluid environment and for release of such ligand THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-25 US disclosed
US-4959135-A OXYGEN AQUANAUTICS CORPORATION (US) 1990-09-25 US disclosed
WO-1988006641-A1 POLYALKYLAMINE COMPLEXES FOR LIGAND EXTRACTION AND GENERATION AQUANAUTICS CORPORATION (US) 1988-09-07 WO disclosed