SCHEMBL3391307

SCHEMBL3391307

CC1=C(C(=O)OCC2CCCCC2)C(c2ccccc2)NC(=O)N1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
PDE1C Q14123 2/20 0.79
TDP1 Q9NUW8 1/20 0.71
ADORA2B P29275 7/20 0.67
GAA P10253 2/20 0.67
POLB P06746 1/20 0.62

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
SCHEMBL3397385 0.89 MEN1 (0.81) MEN1KMT2APDE1CADORA2BGAA
SCHEMBL3397010 0.88 KIF11 (0.76) MEN1KMT2APDE1CADORA2BGAA
SCHEMBL13425331 0.87 MEN1 (0.67) MEN1KMT2APDE1CTDP1ADORA2B
SCHEMBL13425510 0.87 PDE1C (0.74) MEN1KMT2APDE1CTDP1ADORA2B
SCHEMBL3399108 0.86 PDE1C (0.81) MEN1KMT2APDE1CTDP1ADORA2B
SCHEMBL3395577 0.86 PDE1C (0.82) MEN1KMT2APDE1CADORA2BGAA
SCHEMBL3435823 0.85 MEN1 (0.65) MEN1KMT2APDE1CTDP1ADORA2B
SCHEMBL18025267 0.85 KIF11 (0.75) ADORA2BPOLB
SCHEMBL5347891 0.85 KIF11 (0.75) ADORA2BPOLB
SCHEMBL19752667 0.85 KIF11 (0.75) ADORA2BPOLB

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed