SCHEMBL4044885

SCHEMBL4044885

CC(CNC(=O)c1c[c]ccc1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 3/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
PLD1 Q13393 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL159472 0.81 KMT2A (0.63) LMNAKMT2AGAAHSD17B10MAPT
SCHEMBL6635884 0.75 ATM (0.47) LMNAKMT2AHSD17B10TP53MAPT
SCHEMBL2388670 0.75 ALDH1A1 (0.57) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL3080759 0.73 SMYD2 (0.54) LMNAKMT2AGAAMAPTMEN1
SCHEMBL158021 0.73 GAA (0.41) LMNAKMT2AGAAHSD17B10MAPT
SCHEMBL160225 0.73 NPSR1 (0.47) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3081798 0.72 ALDH1A1 (0.40) KMT2ASLC6A2SLC6A3MAPTALDH1A1
SCHEMBL6963777 0.70 CTSL (0.43) GAA
SCHEMBL1490709 0.70 L3MBTL1 (0.55) LMNAKMT2AGAAL3MBTL1POLB
SCHEMBL3313893 0.70 GAA (0.41) LMNAKMT2AGAAHSD17B10MAPT

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
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed