SCHEMBL2733485

SCHEMBL2733485

CCOC(=O)Cc1ccc(-n2cnnn2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 0.56
MAPT P10636 2/20 0.49
POLB P06746 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 3/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL18530872 0.82 MAPT (0.56) KCNJ1MAPTPOLBRXFP1MEN1
SCHEMBL2732279 0.81 KCNJ1 (0.57) KCNJ1MAPTPOLBKMT2ABLM
SCHEMBL15018094 0.78 LMNA (0.50) KCNJ1MAPTPOLBMEN1KMT2A
SCHEMBL15017706 0.78 ALDH1A1 (0.42) KCNJ1MAPTPOLBRXFP1MEN1
SCHEMBL16122487 0.75 KCNJ1 (0.55) KCNJ1MAPTPOLBBLMTDP1
SCHEMBL18216572 0.74 KCNJ1 (0.51) KCNJ1MAPTPOLBMEN1KMT2A
SCHEMBL1135124 0.73 SMN1; SMN2 (0.46) MAPTPOLBMEN1KMT2AESR2
SCHEMBL14677406 0.73 SMN1; SMN2 (0.46) MAPTMEN1KMT2AESR2CYP3A4
SCHEMBL10287706 0.73 KCNH2 (0.57) KCNJ1KCNH2
SCHEMBL2732275 0.73 KCNH2 (0.57) KCNJ1KCNH2

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