SCHEMBL30168080

SCHEMBL30168080

[C-]#[N+]c1ccccc1-n1ccc2cc(C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ROCK1 Q13464 1/20 0.43
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
FABP4 P15090 1/20 0.36
CYP2A6 P11509 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT5 O14744 1/20 0.33
HSD11B1 P28845 1/20 0.32
FGFR1 P11362 1/20 0.32
RXRA P19793 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
SCHEMBL30168076 0.88 HTR2A (0.37) MAOBHSP90AA1ROCK1MAPTRXFP1
SCHEMBL30168073 0.84 KCNH2 (0.38) HSP90AA1ROCK1MAPTHTR2AHTR2C
SCHEMBL29599854 0.84 BIRC5 (0.41) HSP90AA1ROCK1MAPTHTR2AHTR2C
SCHEMBL6840186 0.79 RXRA (0.48) HSP90AA1ROCK1LMNAFGFR1RXRA
SCHEMBL28894029 0.78 MAOB (0.46) MAOBHSP90AA1ROCK1MAPTRXFP1
SCHEMBL31454914 0.78 ROCK1 (0.51) MAOBHSP90AA1ROCK1MAPTRXFP1
SCHEMBL30168069 0.76 MEN1 (0.35) CYP2A6TDP1MEN1KMT2ACYP1A2
SCHEMBL28037181 0.75 MAOB (0.43) MAOBHSP90AA1ROCK1MAPTRXFP1
SCHEMBL17067770 0.74 FGFR1 (0.51) MAOBHSP90AA1ROCK1MAPTRXFP1
SCHEMBL9429195 0.74 FABP4 (0.57) MAOBHSP90AA1ROCK1MAPTFABP4

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
CN-115536662-A Guanyl structure-containing tetracyclic indole compound, and synthesis method and application thereof 广州大学 2022-12-30 CN disclosed