SCHEMBL2733217

SCHEMBL2733217

CC(=O)Oc1cnc(-n2cnnn2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 12/20 0.52
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL15018201 0.84 KCNJ1 (0.49) KCNJ1ALDH1A1KMT2AMAPTMEN1
SCHEMBL14785751 0.77 ALDH1A1 (0.56) KCNJ1ALDH1A1KMT2AMAPTTP53
SCHEMBL2729430 0.75 KCNJ1 (0.65) KCNJ1ALDH1A1KMT2AMAPT
SCHEMBL15018034 0.74 KCNJ1 (0.49) KCNJ1ALDH1A1KMT2AMAPTMEN1
SCHEMBL2733215 0.73 KCNJ1 (0.49) KCNJ1
SCHEMBL15018095 0.70 KMT2A (0.46) KCNJ1ALDH1A1KMT2AMAPTTP53
SCHEMBL17303140 0.70 KCNJ1 (0.46) KCNJ1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL2732399 0.69 KCNJ1 (0.47) KCNJ1KMT2ATP53MEN1
SCHEMBL16906605 0.69 KCNJ1 (1.00) KCNJ1ALDH1A1KMT2AMAPTTP53
SCHEMBL16897509 0.68 KCNJ1 (1.00) KCNJ1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed