SCHEMBL10439151

SCHEMBL10439151

CCOC(=O)Cn1cc(-c2ccccc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CCNC P24863 2/20 0.47
CDK8 P49336 2/20 0.47
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
ALDH1A1 P00352 3/20 0.46
FLT3 P36888 1/20 0.46
MYLK Q15746 1/20 0.46
AURKB Q96GD4 1/20 0.46
CILK1 Q9UPZ9 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
SCHEMBL10439316 0.85 ALDH1A1 (0.48) HTTGAACCNCCDK8ALDH1A1
SCHEMBL563558 0.84 GAA (0.52) SMN1; SMN2L3MBTL1GAAALDH1A1
SCHEMBL31147874 0.80 GRIN2B (0.43) TSHRGAAALDH1A1
SCHEMBL29078195 0.80 KDM4E (0.51) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL25433566 0.80 L3MBTL1 (0.59) L3MBTL1CCNCCDK8KCNJ6KCNJ5
SCHEMBL29427375 0.79 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1CCNCCDK8KCNJ6
SCHEMBL12124191 0.79 ALPI (0.49) SMN1; SMN2HTTCYP2C19ALDH1A1
SCHEMBL28397299 0.76 SRC (0.59) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL12968057 0.76 GSK3A (0.44) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14125781 0.76 GSK3A (0.44) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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-0388659-A1 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4888352-A 3,4, or 5-aryl-1H-pyrazole-1-alkanamides as antiarrhythmic agents, compositions and use STERLING DRUG INC. (US) 1989-12-19 US disclosed