SCHEMBL28008787

SCHEMBL28008787

Cc1ccc(C=CC(N)=O)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 1/20 0.43
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
DDAH1 O94760 1/20 0.41
SLC9A3 P48764 2/20 0.40
SLC9A1 P19634 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL14007608 1.00 PELI1 (0.43) PELI1ALOX15ALDH1A1HSD17B10TDP1
SCHEMBL3009460 0.86 CYP3A4 (0.49) ALOX15ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL3009452 0.86 CYP3A4 (0.49) ALOX15ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL8140673 0.84 CYP1A1 (0.54) PELI1TDP1SMN1; SMN2DDAH1SLC9A3
SCHEMBL2130414 0.84 CYP1A1 (0.54) PELI1TDP1SMN1; SMN2DDAH1SLC9A3
SCHEMBL8269471 0.82 ALDH1A1 (0.42) ALOX15ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL517599 0.82 PELI1 (0.46) PELI1TDP1SMN1; SMN2DDAH1KDM4E
SCHEMBL7017626 0.81 MAPT (0.57) ALDH1A1TDP1SMN1; SMN2CYP3A4THRB
SCHEMBL6171189 0.81 ALDH1A1 (0.50) ALOX15ALDH1A1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL6171196 0.81 ALDH1A1 (0.50) ALOX15ALDH1A1HSD17B10SMN1; SMN2CYP3A4

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
CN-101412709-B Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARM LTD 2015-03-25 CN disclosed
CN-101412709-A Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARM LTD (IE) 2009-04-22 CN disclosed
CN-1894237-A Morpholinyl-containing benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARM LTD (IE) 2007-01-10 CN disclosed