SCHEMBL5082535

SCHEMBL5082535

NCCCNc1ccc2c(=O)c3c(O)ccc(O)c3n3nc(CNCCO)c1c23

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.37
▸ NQO2 P16083 4/20 0.37
▸ NQO1 P15559 3/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CSNK2A1 P68400 2/20 0.36
▸ TOP2A P11388 2/20 0.36
▸ NSD2 O96028 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SLC22A2 O15244 1/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ CACNA1F O60840 1/20 0.36

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
SCHEMBL29369288 0.92 IDO1 (0.37) IDO1NQO2NQO1MEN1USP2
SCHEMBL105984 0.92 IDO1 (0.37) IDO1NQO2NQO1MEN1USP2
Hydrochloric Acid SCHEMBL1650422 0.91 NQO2 (0.36) IDO1NQO2NQO1MEN1USP2
SCHEMBL8543978 0.86 IDO1 (0.35) IDO1NQO2NQO1MEN1USP2
SCHEMBL8542166 0.84 MEN1 (0.44) NQO2NQO1MEN1USP2LMNA
SCHEMBL8545959 0.83 NQO2 (0.38) IDO1NQO2NQO1MEN1USP2
SCHEMBL8546191 0.83 IDO1 (0.37) IDO1NQO2NQO1
SCHEMBL8543922 0.82 MEN1 (0.37) NQO2NQO1MEN1USP2LMNA
SCHEMBL8543902 0.79 IDO1 (0.35) IDO1NQO2NQO1
SCHEMBL8547450 0.78 NQO1 (0.43) NQO2NQO1PAX8SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337978-B2 Stable lyophilisates comprising 5,10-methylene-(6R)-tetrahydrofolic acid MERCK PATENT GMBH (DE) 2022-05-24 — — US disclosed
EP-3668516-B1 STABLE LYOPHILISATES COMPRISING 5,10-METHYLENE-(6R)-TETRAHYDROFOLIC ACID AND A DICARBOXYLIC ACID MERCK PATENT GMBH (DE) 2021-09-22 — — EP disclosed
US-20200368236-A1 Stable lyophilisates comprising 5,10-methylene-(6R)-tetrahydrofolic acid MERCK PATENT GMBH (DE) 2020-11-26 — — US disclosed
EP-2934535-A2 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 — — EP disclosed
WO-2014100071-A2 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 — — WO disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 — — EP disclosed
EP-1891089-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2008-02-27 — — EP disclosed
WO-2006130686-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
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