SCHEMBL28091306

SCHEMBL28091306

CC1CCCCC1N.Cn1ccc(C=O)n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
JMJD6 Q6NYC1 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BMPR1A P36894 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL31321036 0.67
SCHEMBL12535915 0.66
SCHEMBL895537 0.66
SCHEMBL735479 0.66
SCHEMBL895887 0.66
SCHEMBL12439901 0.66
SCHEMBL18611199 0.66
SCHEMBL22221765 0.66
SCHEMBL20841809 0.66
SCHEMBL10151561 0.66

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
CN-105980363-A Aminopyrazolone Derivatives 第三共株式会社 2016-09-28 CN disclosed