SCHEMBL10503163

SCHEMBL10503163

Cc1nc(NCCCCCCc2ccccc2)ncc1O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.49
▸ SIGMAR1 Q99720 3/20 0.45
▸ ESR1 P03372 2/20 0.45
▸ ESR2 Q92731 2/20 0.45
▸ TLR8 Q9NR97 2/20 0.44
▸ TLR7 Q9NYK1 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ASPH Q12797 1/20 0.43
▸ RIOX2 Q8IUF8 1/20 0.43
▸ KDM8 Q8N371 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.43

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
SCHEMBL10503435 1.00 HPGD (0.49) HPGDSIGMAR1ESR1ESR2TLR8
SCHEMBL10502861 0.99 HPGD (0.50) HPGDSIGMAR1ESR1ESR2TLR8
SCHEMBL10502959 0.95 HPGD (0.55) HPGDESR1ESR2TLR8TLR7
SCHEMBL10503381 0.87 SCN9A (0.44) ESR1ESR2HDAC3HDAC1HDAC2
SCHEMBL10502715 0.87 SCN9A (0.44) ESR1ESR2HDAC3HDAC1HDAC2
Enazadrem SCHEMBL635505 0.83 ESR1 (0.51) HPGDSIGMAR1ESR1ESR2TLR8
SCHEMBL11038908 0.83 HDAC3 (0.46) ESR1ESR2HDAC3HDAC1HDAC2
SCHEMBL10503330 0.82 SCN9A (0.45) HPGDESR1ESR2HDAC3HDAC1
SCHEMBL10503228 0.80 DNM2 (0.44) —
SCHEMBL10504062 0.80 DNM2 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138464-B1 2-AMINO-5-HYDROXY-4-METHYLPYRIMIDINE DERIVATIVES PFIZER INC. (US) 1989-11-15 — — EP claimed
US-4554276-A ENZYME INHIBITORS, ANTIULCER AGENTS PFIZER INC. (US) 1985-11-19 — — US claimed
EP-0138464-A2 2-Amino-5-hydroxy-4-methylpyrimidine derivatives PFIZER INC. (US) 1985-04-24 — — EP claimed
EP-0138464-B1 2-AMINO-5-HYDROXY-4-METHYLPYRIMIDINE DERIVATIVES PFIZER INC. (US) 1989-11-15 — — EP disclosed
US-4673677-A 2-AMINO-5-HYDROXY-4-METHYLPYRIMIDINE PFIZER INC. (US) 1987-06-16 — — US disclosed
US-4554276-A ENZYME INHIBITORS, ANTIULCER AGENTS PFIZER INC. (US) 1985-11-19 — — US disclosed
EP-0138464-A2 2-Amino-5-hydroxy-4-methylpyrimidine derivatives PFIZER INC. (US) 1985-04-24 — — EP disclosed
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