SCHEMBL6971384

SCHEMBL6971384

COC(=O)c1cc(C)n(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MYC P01106 2/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 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
SCHEMBL6971381 0.82 L3MBTL1 (0.48) KDM4EPKMMAPK1L3MBTL1TDP1
SCHEMBL11359782 0.81 TSHR (0.56) KDM4EPKMMAPK1L3MBTL1TDP1
SCHEMBL14269810 0.81 ABL1 (0.46) KDM4EMAPK1L3MBTL1TDP1CTDSP1
SCHEMBL4142063 0.79 GABRA1 (0.43) KDM4EL3MBTL1MYCALDH1A1GAA
SCHEMBL1041466 0.77 NOTUM (0.53) ALDH1A1KMT2AMEN1
SCHEMBL10371971 0.77 MAPT (0.42) KDM4EPKMMAPK1L3MBTL1TDP1
SCHEMBL4142059 0.77 KMT2A (0.46) KDM4EL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL25533294 0.76 KDM4E (0.53) KDM4EPKMMAPK1MYCALDH1A1
SCHEMBL3988946 0.75 PDGFRB (0.43) KDM4EPKMMAPK1MYCALDH1A1
SCHEMBL2930813 0.75 L3MBTL1 (0.44) KDM4EPKMMAPK1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240175141-A1 BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION ZestBio, Inc. 2024-05-30 US disclosed
CN-112679489-B N-sulfonyl heterocyclic derivative and pharmaceutical use thereof 重庆医科大学 2023-07-25 CN disclosed
CN-112679489-A N-sulfonyl heterocyclic derivatives and pharmaceutical use thereof 重庆医科大学 2021-04-20 CN disclosed
EP-1238970-B9 CYCLOAMINE CCR5 RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2007-05-09 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed