SCHEMBL7688625

SCHEMBL7688625

Cn1c([C]=O)c(OCc2ccccc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ AS3MT Q9HBK9 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL9589795 0.79 HDAC6 (0.56) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL7263191 0.77 NPC1 (0.53) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL5001969 0.75 L3MBTL1 (0.49) HDAC6KMT2ACNR1ACHECNR2
SCHEMBL27497404 0.71 MAPT (0.45) MEN1KMT2ANPC1RAB9AAS3MT
SCHEMBL9588430 0.69 HDAC6 (0.51) HDAC6MEN1KMT2AMAOBALDH1A1
SCHEMBL29366230 0.68 TSHR (0.52) HDAC6RAB9AMAOBALDH1A1KDM4E
SCHEMBL756581 0.68 TSHR (0.52) HDAC6RAB9AMAOBALDH1A1KDM4E
SCHEMBL12155468 0.68 KDM4E (0.53) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL1127799 0.66 TSHR (0.50) HDAC6RAB9AMAOBALDH1A1KDM4E
SCHEMBL29366541 0.66 TSHR (0.50) HDAC6RAB9AMAOBALDH1A1KDM4E

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
EP-1230218-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 — — EP disclosed
WO-2001032622-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 — — WO disclosed
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