SCHEMBL30380705

SCHEMBL30380705

Clc1cc(Br)cc(Cc2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ASIC3 Q9UHC3 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH1 P35367 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7083429 0.88 L3MBTL1 (0.53) L3MBTL1ALDH1A1MAPTASIC3RAB9A
SCHEMBL23521240 0.82 L3MBTL1 (0.47) L3MBTL1KMT2AALDH1A1MAPTASIC3
SCHEMBL30025675 0.82 L3MBTL1 (0.47) L3MBTL1KMT2AALDH1A1MAPTASIC3
SCHEMBL6478693 0.81 L3MBTL1 (0.46) L3MBTL1KMT2AALDH1A1KDM4EMAPT
SCHEMBL30380749 0.81 L3MBTL1 (0.58) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL10730675 0.78 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL29442873 0.78 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL30062618 0.77 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL31068243 0.75 L3MBTL1 (0.65) L3MBTL1KMT2AALDH1A1MAPTRAB9A
SCHEMBL30271022 0.75 L3MBTL1 (0.65) L3MBTL1MEN1KMT2AALDH1A1KDM4E

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
WO-2023060173-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2023-04-13 WO disclosed