SCHEMBL15826705

SCHEMBL15826705

O=C(O)C(F)c1cccc(-n2cnnn2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 8/20 0.53
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.51
NOTUM Q6P988 2/20 0.50
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NSD2 O96028 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL17258103 0.83 TP53 (0.56) SMN1; SMN2KMT2ATP53LMNANOTUM
SCHEMBL4581611 0.79 TP53 (0.53) SMN1; SMN2KMT2ATP53LMNANOTUM
SCHEMBL16862227 0.77 ALDH1A1 (0.39) SMN1; SMN2KMT2ANOTUMMEN1KDM4E
SCHEMBL939911 0.76 SMN1; SMN2 (0.71) SMN1; SMN2KMT2ATP53LMNANOTUM
SCHEMBL31175292 0.76 SMN1; SMN2 (0.71) SMN1; SMN2KMT2ATP53LMNANOTUM
SCHEMBL7994431 0.76 NOTUM (0.65) SMN1; SMN2KMT2ATP53LMNANOTUM
SCHEMBL29675872 0.75 TP53 (0.55) SMN1; SMN2KMT2ATP53LMNAMEN1
SCHEMBL21152328 0.75 NOTUM (0.72) SMN1; SMN2KMT2ATP53LMNANOTUM
SCHEMBL4583569 0.74 TP53 (0.70) SMN1; SMN2KMT2ATP53LMNANOTUM
SCHEMBL4581826 0.74 KMT2A (0.62) SMN1; SMN2KMT2ATP53LMNAMEN1

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-2934533-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
WO-2014099633-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed