SCHEMBL28875477

SCHEMBL28875477

c1ccc(CC2NCNC2c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ GBA1 P04062 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL28312585 0.82 P2RX7 (0.33) GBA1MEN1KMT2A
SCHEMBL15250705 0.77 GBA1 (0.50) GBA1MEN1KMT2A
SCHEMBL23951733 0.77 GBA1 (0.50) GBA1MEN1KMT2A
SCHEMBL5521949 0.77 GBA1 (0.50) GBA1MEN1KMT2A
SCHEMBL2098491 0.77 GBA1 (0.50) GBA1MEN1KMT2A
SCHEMBL27979655 0.76 MEN1 (0.42) GBA1MEN1KMT2A
SCHEMBL28312583 0.76 POLB (0.41) POLBGBA1
SCHEMBL4390333 0.75 ALDH1A1 (0.40) POLB
SCHEMBL23951730 0.68 MEN1 (0.42) GBA1MEN1KMT2A
SCHEMBL4023292 0.68 GLB1 (0.43) —

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-110139929-A Bacterial glutaminyl cyclase and inhibitors thereof for the treatment of periodontitis 德国弗劳恩霍夫应用研究促进协会 2019-08-16 — — CN disclosed
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