SCHEMBL8477569

SCHEMBL8477569

CC=CCCCC(CC)n1c(=O)c2ccccc2n(CC)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.44
ALDH1A1 P00352 5/20 0.40
MAPK8 P45983 1/20 0.39
KDM4E B2RXH2 7/20 0.38
RECQL P46063 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RCE1 Q9Y256 1/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
HDAC1 Q13547 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
GRM4 Q14833 1/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL8474816 0.93 PGR (0.46) PGRALDH1A1MAPK8KDM4ERECQL
SCHEMBL8474424 0.84 PGR (0.49) PGRALDH1A1MAPK8KDM4ERECQL
SCHEMBL8477593 0.84 PGR (0.44) PGRALDH1A1MAPK8KDM4ERECQL
SCHEMBL8471731 0.84 PGR (0.46) PGRALDH1A1MAPK8KDM4ERECQL
SCHEMBL8472327 0.83 PGR (0.52) PGRALDH1A1MAPK8KDM4ERECQL
SCHEMBL8473957 0.70 RORA (0.45) PGRALDH1A1KDM4EHPGDKMT2A
SCHEMBL7654816 0.69 PGR (0.55) PGRALDH1A1MAPK8KDM4ERECQL
SCHEMBL8473019 0.69 PGR (0.45) PGRALDH1A1MAPK8KDM4ERECQL
SCHEMBL8475762 0.68 OXER1 (0.38) PGRALDH1A1MAPK8KDM4ESMN1; SMN2
SCHEMBL30485670 0.68 PGR (0.68) PGRALDH1A1MAPK8KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908844-A N-substituted azabicycloalkane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1999-06-01 US disclosed