SCHEMBL2729430

SCHEMBL2729430

CC(=O)Oc1ccc(-n2cnnn2)nc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 8/20 0.65
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL9944019 0.86 KCNJ1 (0.57) KCNJ1MAPTPOLBBLMTDP1
SCHEMBL2730327 0.79 KMT2A (0.67) KCNJ1MAPTPOLBBLMTDP1
SCHEMBL16897509 0.79 KCNJ1 (1.00) KCNJ1TDP1KMT2AALDH1A1HPGD
SCHEMBL15018034 0.79 KCNJ1 (0.49) KCNJ1MAPTPOLBBLMTDP1
SCHEMBL15018201 0.76 KCNJ1 (0.49) KCNJ1MAPTPOLBBLMTDP1
SCHEMBL14919593 0.75 KCNJ1 (0.71) KCNJ1MAPTKMT2AALDH1A1HPGD
SCHEMBL2733217 0.75 KCNJ1 (0.52) KCNJ1MAPTKMT2AALDH1A1
SCHEMBL13933626 0.74 MAPT (0.41) KCNJ1MAPTPOLBKMT2AALDH1A1
SCHEMBL15018386 0.74 KCNJ1 (0.51) KCNJ1MAPTPOLBBLMTDP1
SCHEMBL14921306 0.74 KCNJ1 (0.74) KCNJ1ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087077-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-10-31 EP disclosed
EP-3087077-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-11-02 EP disclosed
WO-2015096035-A1 INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-02 WO disclosed
WO-2015100147-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-02 WO disclosed
EP-2790511-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-10-22 EP disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2013090271-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-06-20 WO disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed