SCHEMBL5697011

SCHEMBL5697011

NC(=O)Nc1cc(O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.52
HDAC1 Q13547 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GFER P55789 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
IKBKB O14920 1/20 0.43
TERT O14746 1/20 0.43
TOP1 P11387 1/20 0.43
SNCA P37840 2/20 0.42
KCNMA1 Q12791 4/20 0.42
HDAC2 Q92769 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL7535590 0.83 CXCR1 (0.57) PEPDKDM4EGFERIKBKBTOP1
SCHEMBL19427493 0.83 MEN1 (0.58) SNCAKCNMA1CA12CA1CA2
SCHEMBL23226412 0.82 HDAC1 (0.50) PEPDHDAC1KDM4EGFERAPOBEC3A
SCHEMBL11138178 0.81 CA12 (0.48) HDAC1KDM4EGFERAPOBEC3AAPOBEC3G
SCHEMBL2795484 0.80 KCNMA1 (0.65) KDM4EKCNMA1MEN1KMT2APOLB
SCHEMBL20641533 0.80 PEPD (0.48) PEPDHDAC1KDM4EIKBKBCA12
SCHEMBL3871775 0.80 ALDH1A1 (0.52) HDAC1KDM4EGFERAPOBEC3AAPOBEC3G
SCHEMBL3869658 0.80 KMT2A (0.50) HDAC1KDM4EGFERAPOBEC3AAPOBEC3G
SCHEMBL9799672 0.79 LMNA (0.61) HDAC1KDM4EGFERAPOBEC3AAPOBEC3G
SCHEMBL29716471 0.79 LMNA (0.61) HDAC1KDM4EGFERAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999891-A Microcapsules containing gas-generating photolabile polymers and their use 弗门尼舍有限公司 2017-08-01 CN disclosed
EP-1663192-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS Poseidon Pharmaceuticals A/S (DK) 2006-06-07 EP disclosed
WO-2005023237-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO disclosed