SCHEMBL10481464

SCHEMBL10481464

CCCCCCCC(=O)OCCCOC(O)N1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HPRT1 P00492 4/20 0.39
▸ NOS1 P29475 1/20 0.38
▸ DGKA P23743 1/20 0.37
▸ DNM1 Q05193 1/20 0.36
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ P2RY10 O00398 4/20 0.34
▸ GPR34 Q9UPC5 2/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL10481416 0.91 ALDH1A1 (0.46) ALDH1A1MEN1GAAKMT2AHPRT1
SCHEMBL9583508 0.86 ALDH1A1 (0.42) ALDH1A1MEN1GAAKMT2ADGKA
SCHEMBL9584112 0.86 ALDH1A1 (0.42) ALDH1A1MEN1GAAKMT2ADGKA
SCHEMBL9583018 0.84 ALDH1A1 (0.40) ALDH1A1MEN1GAAKMT2AP2RY10
SCHEMBL10814251 0.84 HPRT1 (0.43) ALDH1A1MEN1GAAKMT2AHPRT1
SCHEMBL10814414 0.81 ALDH1A1 (0.41) ALDH1A1MEN1GAAKMT2AHPRT1
SCHEMBL9463654 0.80 HPRT1 (0.39) ALDH1A1MEN1GAAKMT2AHPRT1
SCHEMBL9463583 0.80 HPRT1 (0.39) ALDH1A1MEN1GAAKMT2AHPRT1
SCHEMBL9465419 0.80 HPRT1 (0.39) ALDH1A1MEN1GAAKMT2AHPRT1
SCHEMBL9583951 0.80 HPRT1 (0.40) ALDH1A1MEN1GAAKMT2AHPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4816447-A HERPES VIRUS MERCK & CO., INC. (US) 1989-03-28 — — US disclosed
EP-0074306-B1 ANTI-VIRAL GUANINE DERIVATIVES MERCK & CO. INC. (US) 1988-06-01 — — EP disclosed
EP-0165164-A1 Anti-viral compounds, their preparation and anti-viral compositions MERCK & CO. INC. (US) 1985-12-18 — — EP disclosed
EP-0074306-A2 Anti-viral guanine derivatives MERCK & CO. INC. (US) 1983-03-16 — — EP disclosed
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