SCHEMBL13425652

SCHEMBL13425652

CCC1=C(C(=O)OCC2CCCCC2)C(c2cc(N)ccc2Cl)NC(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
TP53 P04637 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PDE1C Q14123 3/20 0.48
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
ADORA2B P29275 6/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL3397968 0.89 MEN1 (0.52) GAATP53MEN1KMT2APDE1C
SCHEMBL3398250 0.87 MEN1 (0.55) GAATP53MEN1KMT2APDE1C
SCHEMBL3396507 0.86 POLB (0.62) GAATP53MEN1KMT2APDE1C
SCHEMBL3393219 0.86 MEN1 (0.62) GAATP53MEN1KMT2APDE1C
SCHEMBL3393193 0.85 GAA (0.49) GAATP53MEN1KMT2APDE1C
SCHEMBL3394396 0.85 MEN1 (0.58) GAATP53MEN1KMT2APDE1C
SCHEMBL3398322 0.85 GAA (0.59) GAATP53MEN1KMT2APDE1C
Hydrochloric Acid SCHEMBL3394808 0.85 MEN1 (0.61) GAATP53MEN1KMT2APDE1C
SCHEMBL3394409 0.85 MEN1 (0.55) GAATP53MEN1KMT2APDE1C
SCHEMBL3392331 0.85 PDE1C (0.59) GAAMEN1KMT2APDE1CMAPK1

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