SCHEMBL29818132

SCHEMBL29818132

O=C(NCCc1cc(F)cc(F)c1)c1cccc(Br)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.72
▸ RAB9A P51151 3/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC9 Q9UKV0 1/20 0.55
▸ HDAC5 Q9UQL6 1/20 0.55
▸ LMNA P02545 3/20 0.54
▸ TP53BP1 Q12888 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51

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
SCHEMBL29818026 0.90 NPC1 (0.75) NPC1RAB9AL3MBTL1HDAC2HDAC8
SCHEMBL29818055 0.84 RAB9A (1.00) NPC1RAB9AL3MBTL1HDAC2HDAC8
SCHEMBL15679860 0.81 NPC1 (0.77) NPC1RAB9AL3MBTL1HDAC2HDAC8
SCHEMBL22777114 0.81 NPC1 (0.69) NPC1RAB9AL3MBTL1HDAC2HDAC8
SCHEMBL29818032 0.81 RAB9A (0.77) NPC1RAB9AL3MBTL1HDAC2HDAC8
SCHEMBL29818011 0.77 RAB9A (0.71) NPC1RAB9AL3MBTL1LMNAMEN1
SCHEMBL6290094 0.77 L3MBTL1 (0.76) NPC1RAB9AL3MBTL1LMNATP53BP1
SCHEMBL1663227 0.77 L3MBTL1 (0.76) NPC1RAB9AL3MBTL1LMNATP53BP1
SCHEMBL1928397 0.77 L3MBTL1 (1.00) NPC1RAB9AL3MBTL1LMNATP53BP1
SCHEMBL9491289 0.77 LMNA (0.83) NPC1RAB9AL3MBTL1HDAC2HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 — — WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 — — WO disclosed
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