SCHEMBL9394251

SCHEMBL9394251

O=C(CC(Cc1ccccc1)c1ccccc1)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.58
▸ HDAC4 P56524 3/20 0.58
▸ HDAC1 Q13547 3/20 0.58
▸ HDAC7 Q8WUI4 3/20 0.58
▸ HDAC2 Q92769 3/20 0.58
▸ HDAC10 Q969S8 3/20 0.58
▸ HDAC11 Q96DB2 3/20 0.58
▸ HDAC8 Q9BY41 3/20 0.58
▸ HDAC6 Q9UBN7 3/20 0.58
▸ HDAC9 Q9UKV0 3/20 0.58
▸ HDAC5 Q9UQL6 3/20 0.58
▸ EPHX2 P34913 1/20 0.54
▸ MTNR1A P48039 1/20 0.53
▸ MTNR1B P49286 1/20 0.53
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ FNTA P49354 7/20 0.51
▸ FNTB P49356 7/20 0.51
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL12442271 0.83 FNTA (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7278612 0.82 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30805765 0.82 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29828053 0.82 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3847254 0.81 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31628988 0.80 LMNA (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29828250 0.79 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30805762 0.79 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6553378 0.79 GABBR2 (0.63) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL6553384 0.79 GABBR2 (0.63) MTNR1AMTNR1BMAPTMEN1KMT2A

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-1994020492-A1 NOVEL PROCESS FOR TRANS-6-[2-(SUBSTITUTED-PYRROL-1-YL)ALKYL]PYRAN-2-ONE INHIBITORS OF CHOLESTEROL SYNTHESIS WARNER-LAMBERT COMPANY (US) 1994-09-15 — — WO disclosed
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