SCHEMBL28021796

SCHEMBL28021796

CCOC(=O)C(C)CNc1c2ccccc2nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.62
POLB P06746 5/20 0.60
KDM4E B2RXH2 4/20 0.60
GLA P06280 3/20 0.60
ELANE P08246 3/20 0.50
MAPT P10636 4/20 0.48
PRNP P04156 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 3/20 0.47
RAB9A P51151 2/20 0.47
RAD52 P43351 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
TTR P02766 1/20 0.47
TSHR P16473 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL4157722 0.79 TOP2A (0.75) TOP2APOLBKDM4EGLAELANE
SCHEMBL3668257 0.78 GAA (0.50) MAPTGAARAB9AALDH1A1LMNA
SCHEMBL5852510 0.72 CACNA2D1 (0.58) POLBKDM4EGLAMAPTGAA
SCHEMBL20008615 0.72 MAPT (0.70) POLBKDM4EGLAMAPTL3MBTL1
SCHEMBL27365655 0.72 MEN1 (0.44) TOP2APOLBKDM4EGLAMAPT
SCHEMBL17423141 0.71 TOP2A (0.59) TOP2APOLBKDM4EGLAELANE
SCHEMBL14489266 0.70 POLB (0.63) TOP2APOLBKDM4EGLAELANE
SCHEMBL9524914 0.70 SMN1; SMN2 (0.61) MAPTL3MBTL1ALDH1A1LMNAATM
SCHEMBL1864822 0.70 POLB (0.61) TOP2APOLBKDM4EGLAMAPT
SCHEMBL14740712 0.69 POLB (0.56) TOP2APOLBKDM4EGLAMAPT

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-104788373-A Method for synthesizing compound S-303 hydrochloride UNIV WUHAN 2015-07-22 CN claimed