SCHEMBL2369799

SCHEMBL2369799

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.40
FAAH O00519 2/20 0.40
ACHE P22303 2/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
BCHE P06276 1/20 0.37
HSPB1 P04792 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2379332 0.92 FAAH (0.40) ALDH1A1MAPTTDP1FAAHACHE
SCHEMBL2369695 0.81 KEAP1 (0.36)
SCHEMBL2369693 0.81 KEAP1 (0.36)
SCHEMBL12256862 0.81 TDP1 (0.46) ALDH1A1MAPTTDP1FAAHACHE
SCHEMBL2378078 0.81 TDP1 (0.46) ALDH1A1MAPTTDP1FAAHACHE
SCHEMBL25342735 0.81 TDP1 (0.46) ALDH1A1MAPTTDP1FAAHACHE
SCHEMBL2378079 0.81 TDP1 (0.46) ALDH1A1MAPTTDP1FAAHACHE
SCHEMBL12256888 0.81 TDP1 (0.46) ALDH1A1MAPTTDP1FAAHACHE
SCHEMBL12256883 0.81 TDP1 (0.46) ALDH1A1MAPTTDP1FAAHACHE
SCHEMBL12256796 0.80 TDP1 (0.45) ALDH1A1MAPTTDP1FAAHACHE

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