SCHEMBL30168069

SCHEMBL30168069

[C-]#[N+]c1ccccc1-n1ccc2cccc(C)c21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
CYP2A6 P11509 3/20 0.32
CYP1A2 P05177 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NPC1 O15118 1/20 0.31
HCRTR1 O43613 1/20 0.31
RAB9A P51151 1/20 0.31
P2RX7 Q99572 1/20 0.31
XIAP P98170 1/20 0.31
BIRC2 Q13490 1/20 0.31

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
SCHEMBL28842851 0.76 MEN1 (0.37) MEN1KMT2AALDH1A1ALKBH5FTO
SCHEMBL30168076 0.76 HTR2A (0.37) MEN1KMT2ACYP2A6CYP1A2TDP1
SCHEMBL30168080 0.76 MAOB (0.44) MEN1KMT2ACYP2A6CYP1A2TDP1
SCHEMBL29600322 0.76 HTR2A (0.37) ALDH1A1ALKBH5FTOCYP2A6CYP1A2
SCHEMBL5662790 0.72 NOTUM (0.41) MEN1KMT2AALDH1A1ALKBH5FTO
SCHEMBL16523549 0.68
SCHEMBL5604900 0.66 BIRC5 (0.47) MEN1KMT2AALDH1A1TDP1
SCHEMBL29896751 0.66 BIRC5 (0.47) MEN1KMT2AALDH1A1TDP1
SCHEMBL16506110 0.66 XIAP (0.37) ADRA2AADRA2BADRA2CXIAPBIRC2
SCHEMBL28423387 0.66 RPS6KA5 (0.41) MEN1KMT2AALDH1A1ALKBH5FTO

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