SCHEMBL2379332

SCHEMBL2379332

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
ACHE P22303 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.37
BCHE P06276 1/20 0.36
PKM P14618 1/20 0.35
HSPB1 P04792 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2369799 0.92 ALDH1A1 (0.42) FAAHACHEALDH1A1MAPTTDP1
SCHEMBL2391267 0.86 TDP1 (0.40) FAAHACHEALDH1A1MAPTTDP1
Trifluoroacetic Acid SCHEMBL2388889 0.83 FAAH (0.40) FAAHACHEALDH1A1MAPTTDP1
SCHEMBL2370254 0.81 TDP1 (0.44) FAAHACHEALDH1A1MAPTTDP1
SCHEMBL25346294 0.80 TDP1 (0.51) FAAHACHEALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL2369289 0.80 PRKCQ (0.42) FAAHACHEALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL2369725 0.80 PRKCQ (0.42) FAAHACHEALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL2369727 0.80 PRKCQ (0.42) FAAHACHEALDH1A1MAPTTDP1
SCHEMBL12256912 0.80 TDP1 (0.43) FAAHACHEALDH1A1MAPTTDP1
SCHEMBL2388891 0.79 FAAH (0.42) FAAHACHEALDH1A1MAPTTDP1

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