SCHEMBL8187699

SCHEMBL8187699

NCC(=O)On1cnc2c(=O)nc[nH]c21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.32
▸ HPRT1 P00492 1/20 0.30

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
SCHEMBL4397299 0.77 ALDH1A1 (0.35) KDM4EALDH1A1TDP1HPRT1
SCHEMBL3052569 0.75 ALOX15 (0.31) KDM4EALDH1A1TDP1HSD17B10
SCHEMBL6680764 0.72 HPRT1 (0.38) KDM4EALDH1A1TDP1HSD17B10HPRT1
SCHEMBL27858602 0.70 ALDH1A1 (0.37) KDM4EALDH1A1TDP1HSD17B10HPRT1
SCHEMBL2639252 0.69 ALDH1A1 (0.37) KDM4EALDH1A1TDP1HSD17B10HPRT1
SCHEMBL9010837 0.69 ALDH1A1 (0.35) KDM4EALDH1A1TDP1HSD17B10HPRT1
SCHEMBL7037922 0.68 ALDH1A1 (0.36) KDM4EALDH1A1TDP1HSD17B10HPRT1
SCHEMBL454682 0.68 ALDH1A1 (0.71) KDM4EALDH1A1TDP1HSD17B10HPRT1
SCHEMBL16513160 0.65 ALDH1A1 (0.34) KDM4EALDH1A1TDP1HSD17B10HPRT1
SCHEMBL4404534 0.65 ALDH1A1 (0.34) KDM4EALDH1A1TDP1HSD17B10HPRT1

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
US-6086871-A PROTHROMBIN MUTANT HAVING BINDING CAPACITY TO HIRUDIN, HEPARIN, AND ANTITHROMBIN; SPECIFIC REPLACEMENTS OR DELETIONS IN THEIR AMINO ACID SEQUENCES, AND AN ACTIVITY OF NO MORE THAN 0.25% OF THROMBIN; ANTICOAGULANT SIDE EFFECT REDUCTION BAXTER AKTIENGESELLSCHAFT (AT) 2000-07-11 — — US disclosed
WO-1998037898-A1 SYNERGISTICALLY ACTING ANTI-FUNGAL AGENTS THAT ARE INHIBITORS OF FOLATE METABOLISM, ESPECIALLY METHOTREXATE AND SULFAMETHOXAZOLE BARCLAY BARRY J (CA) 1998-09-03 — — WO disclosed
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