SCHEMBL30367984

SCHEMBL30367984

ON=Cc1cc(OCc2ccccc2)ccc1C#CC1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 3/20 0.39
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
GRM5 P41594 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PARP14 Q460N5 1/20 0.36
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL23887755 1.00 MAOB (0.39) MAOBHPGDGAAMAPTMAOA
SCHEMBL25551414 1.00 MAOB (0.39) MAOBHPGDGAAMAPTMAOA
SCHEMBL30367739 0.86 MAOB (0.41) MAOBHPGDMAOAALDH1A1RAB9A
SCHEMBL23887742 0.86 MAOB (0.41) MAOBHPGDMAOAALDH1A1RAB9A
SCHEMBL23886863 0.78 MAOB (0.44) MAOBHPGDMAOAALDH1A1RAB9A
SCHEMBL23896349 0.78 RAB9A (0.38) HPGDGAAMAPTALDH1A1RAB9A
SCHEMBL25195489 0.78 RAB9A (0.38) HPGDGAAMAPTALDH1A1RAB9A
SCHEMBL25545023 0.78 RAB9A (0.39) HPGDGAAMAPTALDH1A1RAB9A
SCHEMBL23887737 0.78 RAB9A (0.39) HPGDGAAMAPTALDH1A1RAB9A
SCHEMBL30120995 0.77 HPGD (0.33) HPGDGAAMAPTALDH1A1KMT2A

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-115697969-A 7-or 8-hydroxy-isoquinoline and 7-or 8-hydroxy-quinoline derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-02-03 CN disclosed