SCHEMBL8409141

SCHEMBL8409141

CCOC(=O)CC1CCCN(c2ccc(-c3ccc(C#N)cc3)c(C=C=O)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP14 P54578 5/20 0.46
KDM1A O60341 9/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CHRM3 P20309 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL8407178 0.91 KDM1A (0.38) USP14KDM1ACHRM3
SCHEMBL8407515 0.87 KDM1A (0.38) KDM1A
SCHEMBL8407537 0.86 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1L3MBTL1MEN1
SCHEMBL8718962 0.81 CHRM4 (0.38) KDM1A
SCHEMBL8409552 0.81 LGMN (0.52) KDM1AALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL8409543 0.79 KDM1A (0.41) USP14KDM1AHRH2HRH1CHRM3
SCHEMBL8409450 0.75 KDM1A (0.40) KDM1AALDH1A1MAPTMAPK1HRH2
SCHEMBL8410942 0.73 USP14 (0.43) USP14KDM1AALDH1A1MAPTHRH2
SCHEMBL8410939 0.72 GRM3 (0.50) USP14KDM1AALDH1A1MAPTMEN1
SCHEMBL7753345 0.72 USP14 (0.52) USP14ALDH1A1MAPTMAPK1L3MBTL1

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-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed