SCHEMBL4904889

SCHEMBL4904889

C=CCN1C(=O)c2cccc3c(NCCCO)ccc(c23)C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.59
RPS6KB1 P23443 1/20 0.59
EPHA2 P29317 1/20 0.59
FLT4 P35916 1/20 0.59
CSNK2A1 P68400 1/20 0.59
KMT2A Q03164 7/20 0.58
MEN1 O00255 6/20 0.58
MAPT P10636 5/20 0.58
HTT P42858 4/20 0.58
USP2 O75604 3/20 0.58
RGS12 O14924 3/20 0.58
POLB P06746 2/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
ATM Q13315 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TLR9 Q9NR96 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 5/20 0.57
RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL18691421 0.88 KMT2A (0.74) DYRK3RPS6KB1EPHA2FLT4CSNK2A1
SCHEMBL1505152 0.85 MEN1 (0.73) DYRK3RPS6KB1EPHA2FLT4CSNK2A1
SCHEMBL30360198 0.85 MEN1 (0.73) DYRK3RPS6KB1EPHA2FLT4CSNK2A1
SCHEMBL3433937 0.84 POLB (0.64) DYRK3RPS6KB1EPHA2FLT4CSNK2A1
SCHEMBL1505144 0.81 MEN1 (0.70) DYRK3RPS6KB1EPHA2FLT4CSNK2A1
SCHEMBL1505234 0.81 MEN1 (0.70) DYRK3RPS6KB1EPHA2FLT4CSNK2A1
Hydrochloric Acid SCHEMBL29265514 0.79 ALDH1A1 (0.64) DYRK3RPS6KB1EPHA2FLT4CSNK2A1
SCHEMBL19718354 0.79 KMT2A (0.86) DYRK3RPS6KB1EPHA2FLT4CSNK2A1
SCHEMBL18028312 0.79 ALDH1A1 (0.61) DYRK3RPS6KB1EPHA2FLT4CSNK2A1
SCHEMBL9869731 0.78 DYRK3 (0.69) DYRK3RPS6KB1EPHA2FLT4CSNK2A1

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
US-20080009573-A1 Labeled tackifiers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORP. 2008-01-10 US disclosed