SCHEMBL28165012

SCHEMBL28165012

Brc1ccccc1N1C=CC=NC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.35
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL28757072 0.87
SCHEMBL27568155 0.79 GAA (0.38) L3MBTL1
SCHEMBL30643554 0.79 ALDH1A1 (0.39) MGLLTSHRL3MBTL1
SCHEMBL27860451 0.75 KDM4E (0.39) TSHR
SCHEMBL30642749 0.75 ALDH1A1 (0.41) L3MBTL1
SCHEMBL2478579 0.75 MEN1 (0.38) TSHR
SCHEMBL27314289 0.75
SCHEMBL2362320 0.73 MAPT (0.35)
SCHEMBL27679313 0.72 NPC1 (0.46) TSHR
SCHEMBL16972824 0.71 NOS3 (0.35)

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-104650117-B A kind of organic compound and its application in organic electroluminescence device 北京鼎材科技有限公司 2017-08-01 CN disclosed