SCHEMBL20125004

SCHEMBL20125004

CC1=CCN(O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR7 P34969 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.31
CES1 P23141 2/20 0.31
TTR P02766 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4432600 0.78 CES1 (0.35) LMNAMAPK1TSHRNPSR1USP2
SCHEMBL29738286 0.78 CES1 (0.35) LMNAMAPK1TSHRNPSR1USP2
Iodide SCHEMBL27878012 0.76 CES1 (0.34) LMNAMAPK1TSHRNPSR1USP2
SCHEMBL2193457 0.74 NOTUM (0.57) LMNANOTUMALDH1A1KDM4ECES1
SCHEMBL2538868 0.74 LMNA (0.34) LMNAMAPK1TSHRNPSR1USP2
SCHEMBL9053549 0.73 BRD2 (0.44) LMNAMAPK1TSHRNPSR1USP2
SCHEMBL29276950 0.73 LMNA (0.33) LMNAMAPK1TSHRNPSR1USP2
SCHEMBL2543813 0.73 NPY5R (0.34) LMNAMAPK1TSHRNPSR1USP2
Bromide SCHEMBL31147095 0.72 S100A4 (0.34) LMNAMAPK1TSHRNPSR1USP2
Iodide SCHEMBL27902564 0.72 MAPT (0.34) LMNAMAPK1TSHRNPSR1USP2

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-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed