SCHEMBL3393219

SCHEMBL3393219

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(N)cc2)NC(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GAA P10253 4/20 0.57
PDE1C Q14123 2/20 0.56
ADORA2B P29275 7/20 0.51
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL3394808 0.99 MEN1 (0.61) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3398354 0.90 MEN1 (0.64) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3434652 0.90 MEN1 (0.64) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3393538 0.89 MEN1 (0.78) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL13425728 0.89 MEN1 (0.58) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3399280 0.88 MEN1 (0.61) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3392331 0.88 PDE1C (0.59) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL13425692 0.88 MEN1 (0.60) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3395613 0.88 MEN1 (0.60) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3394404 0.88 HSD17B10 (0.62) MEN1KMT2AGAAPDE1CADORA2B

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