SCHEMBL28644304

SCHEMBL28644304

CNc1ccc(-c2cnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
APP P05067 8/20 0.35
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MAPT P10636 1/20 0.31
SNCA P37840 1/20 0.31
TNIK Q9UKE5 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
SCHEMBL13411815 0.83 POLB (0.33) MEN1KMT2A
SCHEMBL28642376 0.79 NTRK1 (0.39) TSHRMAPT
SCHEMBL1187135 0.74 RPS6KA3 (0.42) APPMEN1KMT2AMAPTTNIK
SCHEMBL17283676 0.74 SCN4A (0.43)
SCHEMBL5020178 0.74 ASIC3 (0.48) APPMEN1KMT2AMAPT
SCHEMBL5020203 0.74 POLB (0.48) APPMEN1GAAKMT2AMAPT
SCHEMBL5020183 0.74 MEN1 (0.46) MEN1GAAKMT2AMAPT
SCHEMBL23326033 0.73 NISCH (0.40) GAAMAPT
SCHEMBL5020205 0.73 SCN4A (0.55) KMT2AMAPT
SCHEMBL23329062 0.73 RAB9A (0.44) MAPT

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-108347942-B Hepatitis B core protein modulators 组装生物科学股份有限公司 2021-09-03 CN disclosed