SCHEMBL2369124

SCHEMBL2369124

CN(C(=O)O)C1CCCC(Oc2cc(F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 2/20 0.38
ACHE P22303 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
CYP19A1 P11511 2/20 0.36
PDE5A O76074 1/20 0.36
BCHE P06276 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2473272 0.89 FAAH (0.41) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL2473269 0.89 FAAH (0.41) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL2394209 0.88 GPR119 (0.38) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL2394852 0.87 ALDH1A1 (0.44) ALDH1A1MAPTRAB9AFAAHACHE
SCHEMBL2370275 0.83 TDP1 (0.42) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL2369476 0.82 TDP1 (0.41) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL2369473 0.82 TDP1 (0.41) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL2369066 0.82 TDP1 (0.41) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL2369063 0.82 TDP1 (0.41) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL2369073 0.82 TDP1 (0.41) ALDH1A1MAPTRAB9AMEN1NPC1

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