SCHEMBL2378079

SCHEMBL2378079

N[C@H]1C[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
ATM Q13315 1/20 0.46
HSPB1 P04792 3/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SCD O00767 1/20 0.36
PDE7A Q13946 1/20 0.36
FAAH O00519 2/20 0.36
ACHE P22303 2/20 0.36
GAA P10253 3/20 0.35
GLA P06280 1/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 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
SCHEMBL2378078 1.00 TDP1 (0.46) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL12256912 0.91 TDP1 (0.43) TDP1ATMHSPB1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2369308 0.90 ALDH1A1 (0.39) TDP1ATMHSPB1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2369305 0.90 ALDH1A1 (0.39) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL12256680 0.87 TDP1 (0.45) TDP1ATMHSPB1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2370171 0.86 TDP1 (0.44) TDP1ATMHSPB1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2370173 0.86 TDP1 (0.44) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL25342735 0.86 TDP1 (0.46) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL12256888 0.86 TDP1 (0.46) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL12256883 0.86 TDP1 (0.46) TDP1ATMHSPB1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539345-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO]THIENO [2, 3 - D]PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
WO-2011104334-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO] THIENO [2, 3 - D] PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed