SCHEMBL8409552

SCHEMBL8409552

CCOC(=O)C1CCN(c2ccc(-c3ccc(C#N)cc3)c(C=C=O)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.52
PDK2 Q15119 1/20 0.47
MAPT P10636 7/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
RET P07949 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL8407537 0.90 ALDH1A1 (0.47) LGMNMAPTALDH1A1KDM4EMEN1
SCHEMBL2654128 0.82 MAPT (0.64) LGMNPDK2MAPTALDH1A1KDM4E
SCHEMBL8409141 0.81 USP14 (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8718962 0.81 CHRM4 (0.38) KDM1A
SCHEMBL8407515 0.78 KDM1A (0.38) KDM1A
SCHEMBL8407178 0.76 KDM1A (0.38) KDM1A
SCHEMBL7520148 0.76 NOTUM (0.61) LGMNPDK2MAPTALDH1A1KDM4E
SCHEMBL21533588 0.70 LGMN (0.69) LGMNPDK2MAPTALDH1A1KDM4E
SCHEMBL8884329 0.70 KMT2A (0.66) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL23086805 0.70 LGMN (0.62) LGMNPDK2MAPTALDH1A1KDM4E

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