SCHEMBL30429412

SCHEMBL30429412

ClCCOc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.56
RAB9A P51151 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
NOS1 P29475 1/20 0.48
HMOX2 P30519 1/20 0.48

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
SCHEMBL1785290 1.00 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL30395305 0.92 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL307767 0.92 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL2870704 0.89 MAOB (0.53) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL13883739 0.87 MAOB (0.64) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL7162438 0.85 MAOB (0.62) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL2801030 0.83 MAOB (0.60) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL2431860 0.83 MAOB (0.60) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL16263296 0.82 MAOB (0.61) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL10801659 0.82 MAOB (0.67) MAOBRAB9AHTTL3MBTL1ALDH1A1

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-111511750-B Macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2023-06-13 CN disclosed