SCHEMBL2733704

SCHEMBL2733704

CC(=O)Oc1ccc(-n2cnnn2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
KCNJ1 P48048 2/20 0.49
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.45
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.43
LRRK2 Q5S007 1/20 0.43
TSHR P16473 1/20 0.43
PTGS2 P35354 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 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
SCHEMBL14785751 0.82 ALDH1A1 (0.56) KCNJ1ALDH1A1TP53KMT2AHPGD
SCHEMBL15825107 0.81 KCNJ1 (0.52) NOTUMKCNJ1ALDH1A1TP53KMT2A
SCHEMBL2733939 0.81 KCNJ1 (0.52) KCNJ1ALDH1A1TP53KMT2AHPGD
SCHEMBL2731717 0.78 KCNJ1 (0.49) KCNJ1ALDH1A1TP53KMT2AHPGD
SCHEMBL1577897 0.76 NOTUM (0.68) NOTUMKCNJ1ALDH1A1LRRK2CA12
SCHEMBL2730327 0.74 KMT2A (0.67) NOTUMKCNJ1ALDH1A1KMT2AHPGD
SCHEMBL2733700 0.73 NOTUM (0.58) NOTUMKCNJ1ALDH1A1TP53KMT2A
SCHEMBL24436810 0.73 KDM4E (0.46) ALDH1A1HPGDTSHRPTGS2
SCHEMBL15825106 0.73 KMT2A (0.71) KCNJ1TP53KMT2APTGS2MAPT
SCHEMBL8125656 0.71 ALDH1A1 (0.58) KCNJ1ALDH1A1TP53KMT2AHPGD

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