SCHEMBL8946379

SCHEMBL8946379

CC(=O)N1c2ccccc2C2(C)Cc3ccccc3C12C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ADRB2 P07550 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NOTUM Q6P988 9/20 0.45
LMNA P02545 1/20 0.40
HSD17B3 P37058 1/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
FSHR P23945 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8946372 1.00 MEN1 (0.49) MEN1KMT2AADRB2NPSR1NOTUM
SCHEMBL8946367 1.00 MEN1 (0.49) MEN1KMT2AADRB2NPSR1NOTUM
SCHEMBL8946465 0.86 MAPT (0.42) MEN1KMT2AADRB2NPSR1NOTUM
SCHEMBL8946472 0.86 MAPT (0.42) MEN1KMT2AADRB2NPSR1NOTUM
SCHEMBL8946480 0.86 MAPT (0.42) MEN1KMT2AADRB2NPSR1NOTUM
SCHEMBL9018953 0.83 MEN1 (0.38) MEN1KMT2AADRB2NPSR1NOTUM
SCHEMBL8946924 0.83 MEN1 (0.38) MEN1KMT2AADRB2NPSR1NOTUM
SCHEMBL9018952 0.83 MEN1 (0.38) MEN1KMT2AADRB2NPSR1NOTUM
SCHEMBL8946907 0.78 ALDH1A1 (0.40) MEN1KMT2ANOTUMLMNAGAA
SCHEMBL8946917 0.78 ALDH1A1 (0.40) MEN1KMT2ANOTUMLMNAGAA

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
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed