SCHEMBL9018952

SCHEMBL9018952

CC(=O)N1c2ccc(C(C)C)cc2[C@]2(C)Cc3ccccc3[C@]12C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADRB2 P07550 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
FSHR P23945 4/20 0.37
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
NOTUM Q6P988 3/20 0.35
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDK2 Q15119 1/20 0.34
TP53 P04637 3/20 0.34
ALDH1A1 P00352 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HSD17B3 P37058 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL8946924 1.00 MEN1 (0.38) MEN1KMT2AADRB2NPSR1HSP90AA1
SCHEMBL9018953 1.00 MEN1 (0.38) MEN1KMT2AADRB2NPSR1HSP90AA1
SCHEMBL8946472 0.84 MAPT (0.42) MEN1KMT2AADRB2NPSR1FSHR
SCHEMBL8946480 0.84 MAPT (0.42) MEN1KMT2AADRB2NPSR1FSHR
SCHEMBL8946465 0.84 MAPT (0.42) MEN1KMT2AADRB2NPSR1FSHR
SCHEMBL8946379 0.83 MEN1 (0.49) MEN1KMT2AADRB2NPSR1FSHR
SCHEMBL8946367 0.83 MEN1 (0.49) MEN1KMT2AADRB2NPSR1FSHR
SCHEMBL8946372 0.83 MEN1 (0.49) MEN1KMT2AADRB2NPSR1FSHR
SCHEMBL26079157 0.70 PDK1 (0.37) MEN1KMT2AHSP90AA1HSP90AB1FSHR
SCHEMBL8946416 0.66 HPGD (0.44) MEN1KMT2AHSP90AA1HSP90AB1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed