SCHEMBL10433795

SCHEMBL10433795

CC(O)COc1c([N+](=O)[O-])ccc(F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
EPAS1 Q99814 1/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.35
SRD5A2 P31213 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
S1PR4 O95977 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.34
PIN1 Q13526 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MYC P01106 1/20 0.33
MAX P61244 1/20 0.33

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
SCHEMBL10434223 1.00 TDP1 (0.38) TDP1SMN1; SMN2EPAS1ALDH1A1MAPT
SCHEMBL10433794 1.00 TDP1 (0.38) TDP1SMN1; SMN2EPAS1ALDH1A1MAPT
SCHEMBL10434115 0.86 TDP1 (0.38) TDP1SMN1; SMN2ALDH1A1MAPTSRD5A2
SCHEMBL10434114 0.86 TDP1 (0.38) TDP1SMN1; SMN2ALDH1A1MAPTSRD5A2
SCHEMBL8979401 0.86 LMNA (0.39) TDP1SMN1; SMN2ALDH1A1MAPTSRD5A2
SCHEMBL1496810 0.86 LMNA (0.39) TDP1SMN1; SMN2ALDH1A1MAPTSRD5A2
SCHEMBL2923101 0.86 LMNA (0.39) TDP1SMN1; SMN2ALDH1A1MAPTSRD5A2
SCHEMBL25222043 0.81 MAPT (0.44) TDP1SMN1; SMN2ALDH1A1MAPTS1PR4
SCHEMBL10434038 0.81 VCAM1 (0.34) TDP1SMN1; SMN2ALDH1A1MAPTSRD5A2
SCHEMBL10433971 0.81 VCAM1 (0.34) TDP1SMN1; SMN2ALDH1A1MAPTSRD5A2

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-0368410-A2 Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation GIST-BROCADES N.V. (NL) 1990-05-16 EP disclosed