SCHEMBL8656113

SCHEMBL8656113

NC(=O)C(CNc1ccccc1)C1=NNc2ccccc2C=C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 2/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4146675 0.81 MAPT (0.33) EPHX1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL992491 0.80 GAA (0.32) EPHX1MAPT
SCHEMBL5412235 0.66 GAA (0.37) KDM4ELMNAMAPTRAB9ASMN1; SMN2
SCHEMBL8197993 0.66 MAPT (0.37) KDM4ELMNAMAPTRAB9ASMN1; SMN2
SCHEMBL4915107 0.66 GAA (0.37) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL8799466 0.65 GAA (0.43) MAPT
SCHEMBL1226277 0.64 MAPT (0.42) LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL5414764 0.63 MAPT (0.41) KDM4EMEN1LMNAKMT2AMAPT
SCHEMBL15865155 0.63 MAPT (0.37) LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL28986970 0.63 ALDH1A1 (0.36) MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730453-A4 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 1998-03-04 EP disclosed
EP-0730453-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO. INC. (US) 1996-09-11 EP disclosed
WO-1995014470-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1995-06-01 WO disclosed