SCHEMBL8303802

SCHEMBL8303802

Cc1c[nH]c2c(C(C)C#N)cccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
SOS2 Q07890 1/20 0.38
REN P00797 2/20 0.37
DYRK1A Q13627 3/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
BRPF1 P55201 1/20 0.34
HTR2A P28223 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR4A2 P43354 1/20 0.32
AR P10275 3/20 0.31
NR3C1 P04150 2/20 0.30
PGR P06401 2/20 0.30
NR3C2 P08235 1/20 0.30
FFAR1 O14842 1/20 0.30
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL11099782 0.81 ATM (0.44) ATMSOS2RENTRIM24TRIM33
SCHEMBL28875569 0.73 DYRK1A (0.51) ATMRENDYRK1ATRIM24TRIM33
SCHEMBL31607554 0.70 TRIM24 (0.60) ATMSOS2RENTRIM24TRIM33
SCHEMBL2143637 0.70 TRIM24 (0.60) ATMSOS2RENTRIM24TRIM33
SCHEMBL697021 0.70 TSHR (0.42) ATMMAPTSMN1; SMN2NPSR1
SCHEMBL31485919 0.70 TSHR (0.42) ATMMAPTSMN1; SMN2NPSR1
SCHEMBL29433705 0.69 ESR1 (0.46) MAPTNPSR1
SCHEMBL15692504 0.69 REN (0.57) ATMSOS2RENTRIM24TRIM33
SCHEMBL954806 0.69 ESR1 (0.46) MAPTNPSR1
SCHEMBL8763258 0.68 CA1 (0.34) MAPTNPSR1

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-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 EP disclosed
US-5281593-A Pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1994-01-25 US disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed