SCHEMBL28327759

SCHEMBL28327759

Cc1ccccc1-c1nn[nH]c1-c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ DCUN1D1 Q96GG9 2/20 0.42
▸ HTR7 P34969 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ PKM P14618 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PRNP P04156 1/20 0.39

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
SCHEMBL23221250 0.87 ALDH1A1 (0.45) GAARAB9ASMN1; SMN2NPC1CASP3
SCHEMBL5601860 0.82 GAA (0.47) GAARAB9ASMN1; SMN2NPC1CASP3
SCHEMBL24976109 0.81 ALDH1A1 (0.37) GAARAB9ASMN1; SMN2NPC1CASP3
SCHEMBL727511 0.81 ALDH1A1 (0.37) GAARAB9ASMN1; SMN2NPC1CASP3
SCHEMBL29244334 0.79 GAA (0.44) GAARAB9ASMN1; SMN2NPC1CASP3
SCHEMBL3387254 0.79 GAA (0.49) GAARAB9ASMN1; SMN2NPC1CASP3
SCHEMBL2918163 0.79 PIK3CD (0.49) GAARAB9ASMN1; SMN2NPC1CASP3
SCHEMBL6065104 0.79 GAA (0.44) GAARAB9ASMN1; SMN2NPC1CASP3
SCHEMBL11496547 0.79 GAA (0.44) GAARAB9ASMN1; SMN2NPC1CASP3
SCHEMBL29746075 0.77 ALDH1A1 (0.40) GAARAB9ASMN1; SMN2NPC1CASP3

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-110423239-A 1,3- oxazines and 1,2,3- triazole derivative and its synthetic method and application UNIV KUNMING SCIENCE & TECHNOLOGY 2019-11-08 — — CN disclosed
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