SCHEMBL14219285

SCHEMBL14219285

CCC(=O)Nc1ccc(N=O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 1/20 0.54
GFER P55789 1/20 0.54
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 2/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 4/20 0.44
ADRB2 P07550 1/20 0.44
TP53 P04637 3/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL14229617 0.86 KMT2A (0.50) ALDH1A1MAPTGFERLMNAL3MBTL1
SCHEMBL8773412 0.80 HTT (0.68) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL8270033 0.80 HDAC3 (0.53) ALDH1A1MAPTLMNAL3MBTL1MEN1
SCHEMBL2902945 0.80 KMT2A (0.79) ALDH1A1MAPTGFERLMNAL3MBTL1
SCHEMBL12956151 0.78 LMNA (0.60) ALDH1A1MAPTGFERLMNAL3MBTL1
SCHEMBL12392897 0.77 HTT (0.56) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11620459 0.77 MAPT (0.61) ALDH1A1MAPTGFERLMNAL3MBTL1
SCHEMBL22411255 0.75 MEN1 (0.56) ALDH1A1MAPTGFERLMNAL3MBTL1
SCHEMBL30873828 0.75 MEN1 (0.56) ALDH1A1MAPTGFERLMNAL3MBTL1
SCHEMBL13368241 0.74 ALDH1A1 (0.59) ALDH1A1MAPTGFERLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed