SCHEMBL28290421

SCHEMBL28290421

CC(O[SH](=O)=O)c1cc([N+](=O)[O-])ccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP19A1 P11511 4/20 0.37
POLB P06746 1/20 0.37
PDE4B Q07343 1/20 0.36
PTGS2 P35354 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL28290537 0.81 ALDH1A1 (0.46) KMT2AHTTLMNASMN1; SMN2GAA
SCHEMBL16960064 0.81 MAPT (0.44) MAPTMEN1KMT2AHTTLMNA
SCHEMBL28290498 0.78 MAPT (0.47) MAPTMEN1KMT2AHTTLMNA
SCHEMBL8609293 0.75 MAPT (0.51) MAPTMEN1KMT2AHTTLMNA
SCHEMBL17593420 0.75 CYP19A1 (0.51) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4043515 0.75 CYP19A1 (0.55) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2086886 0.75 CYP19A1 (0.55) MAPTMEN1KMT2AHTTLMNA
SCHEMBL16959982 0.74 MAPT (0.48) MAPTMEN1KMT2AHTTLMNA
SCHEMBL1470776 0.74 ALDH1A1 (0.55) MAPTMEN1KMT2AHTTLMNA
SCHEMBL16956126 0.74 MEN1 (0.44) MAPTMEN1KMT2AHTTLMNA

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-109562111-A CK2 inhibitor, its composition and method 北极星药业股份有限公司 2019-04-02 CN disclosed