SCHEMBL27602202

SCHEMBL27602202

CC1CN(Nc2ccccc2)CC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ FKBP1A P62942 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAK O14976 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL27948460 0.79 HTR1A (0.39) ALDH1A1HPGDKDM4EKMT2ATDP1
SCHEMBL29931791 0.77 KDM4E (0.40) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL18040070 0.77 SIGMAR1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL29932078 0.75 KMT2A (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL30997628 0.73 HRH3 (0.41) TDP1
SCHEMBL18040068 0.73 ATM (0.37) ALDH1A1PKMTDP1MAPTGAA
SCHEMBL30997648 0.72 SLC6A2 (0.42) MEN1KMT2ATSHR
SCHEMBL29580440 0.72 SLC6A2 (0.42) MEN1KMT2ATSHR
SCHEMBL30885138 0.72 MAPT (0.60) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL30885149 0.71 ACHE (0.47) ALDH1A1HTTMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1821236-B Therapeutic heterocyclic compounds ASTRAZENECA AB 2010-06-23 — — CN disclosed
CN-100509794-C Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2009-07-08 — — CN disclosed
CN-100460402-C Therapeutic benzopyranone compounds used as intermediates. ASTRAZENECA AB (SE) 2009-02-11 — — CN disclosed
CN-100384833-C Therapeutic chroman compounds ASTRAZENECA AB (SE) 2008-04-30 — — CN disclosed
CN-1821236-A Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-08-23 — — CN disclosed
CN-1740168-A Therapeutic benzopyranone compounds used as intermediates. ASTRAZENECA AB (SE) 2006-03-01 — — CN disclosed
CN-1592745-A Therapeutic chromone compounds ASTRAZENECA AB (SE) 2005-03-09 — — CN disclosed
CN-1527827-A Therapeutic heterocyclic compounds — 2004-09-08 — — CN disclosed
CN-1524077-A Therapeutic chroman compounds — 2004-08-25 — — CN disclosed
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