SCHEMBL11225846

SCHEMBL11225846

Cc1nc(N)c(OCc2ccccc2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ ATP4A P20648 2/20 0.52
▸ ATP4B P51164 2/20 0.52
▸ MGMT P16455 4/20 0.51
▸ CDK1 P06493 2/20 0.51
▸ CCNB1 P14635 2/20 0.51
▸ CCNA2 P20248 2/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ CCNA1 P78396 2/20 0.51
▸ LTA4H P09960 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MPO P05164 1/20 0.46
▸ TPO P07202 1/20 0.46
▸ EPX P11678 1/20 0.46

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
SCHEMBL10747871 0.84 L3MBTL1 (0.74) L3MBTL1ATP4AATP4BMGMTCDK1
SCHEMBL11225394 0.79 L3MBTL1 (0.58) L3MBTL1ATP4AATP4BMGMTCDK1
SCHEMBL15055971 0.77 TSHR (0.48) L3MBTL1ATP4AATP4BMGMTCDK1
SCHEMBL18080651 0.77 L3MBTL1 (0.59) L3MBTL1ATP4AATP4BMGMTCDK1
SCHEMBL17164561 0.76 L3MBTL1 (0.51) L3MBTL1ATP4AATP4BMGMTCDK1
SCHEMBL26971397 0.76 L3MBTL1 (0.58) L3MBTL1ATP4AATP4BMGMTCDK1
SCHEMBL15088086 0.76 L3MBTL1 (0.54) L3MBTL1ATP4AATP4BMGMTCDK1
SCHEMBL18748600 0.76 L3MBTL1 (0.54) L3MBTL1ATP4AATP4BMGMTCDK1
SCHEMBL25345378 0.75 MGMT (0.50) L3MBTL1ATP4AATP4BMGMTCDK1
SCHEMBL29364376 0.75 MGMT (0.50) L3MBTL1ATP4AATP4BMGMTCDK1

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-4343802-A ADRENERGIC BLOCKING, ANTIARRYHYTHMIA, AND CARDIOTONIC AGENTS MERCK, SHARP & DOHME (I.A.) CORP. (US) 1982-08-10 — — US disclosed
US-4193995-A B-ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORP. (US) 1980-03-18 — — US disclosed
US-4042586-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1977-08-16 — — US disclosed
US-3946009-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1976-03-23 — — US disclosed
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