SCHEMBL10752201

SCHEMBL10752201

CC1CN(C(I)c2ccccc2)CC1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
MAOB P27338 2/20 0.44
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR5 P51681 1/20 0.39
DRD4 P21917 1/20 0.39
EPHX2 P34913 1/20 0.39
CTSK P43235 3/20 0.38
CTSS P25774 1/20 0.38
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
KCNA3 P22001 1/20 0.37
MAOA P21397 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
USP30 Q70CQ3 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36

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
SCHEMBL31368119 0.76 KDM1A (0.43) KDM1AMAOBKMT2AL3MBTL1CCR5
SCHEMBL31368071 0.76 KDM1A (0.43) KDM1AMAOBKMT2AL3MBTL1CCR5
SCHEMBL2183100 0.75 KDM1A (0.41) KDM1AMAOBKMT2AL3MBTL1CCR5
SCHEMBL19180749 0.74 KDM1A (0.50) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL9383617 0.74 TLR2 (0.48) KDM1AMAOBKMT2AL3MBTL1USP30
SCHEMBL9383626 0.74 TLR2 (0.48) KDM1AMAOBKMT2AL3MBTL1USP30
SCHEMBL9270099 0.74 TLR2 (0.48) KDM1AMAOBKMT2AL3MBTL1USP30
SCHEMBL9270085 0.74 TLR2 (0.48) KDM1AMAOBKMT2AL3MBTL1USP30
SCHEMBL5627069 0.74 KDM1A (0.39) KDM1AMAOBKMT2AL3MBTL1CCR5
SCHEMBL14441187 0.74 KDM1A (0.39) KDM1AMAOBKMT2AL3MBTL1CCR5

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
EP-0208210-A1 Pyridonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-01-14 EP disclosed