SCHEMBL2473267

SCHEMBL2473267

O=C(O)NCC1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
ACHE P22303 2/20 0.53
AR P10275 5/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.41
BCHE P06276 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.37

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
SCHEMBL2369122 0.87 FAAH (0.48) FAAHACHEMAPTALDH1A1HTT
SCHEMBL25346294 0.83 TDP1 (0.51) FAAHACHEMAPTALDH1A1HTT
SCHEMBL2405647 0.83 SMN1; SMN2 (0.46) FAAHACHEARMAPTALDH1A1
Hydrochloric Acid SCHEMBL2369289 0.80 PRKCQ (0.42) FAAHACHEMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL2369725 0.80 PRKCQ (0.42) FAAHACHEMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL2369727 0.80 PRKCQ (0.42) FAAHACHEMAPTALDH1A1TDP1
SCHEMBL2396360 0.80 FAAH (0.43) FAAHACHEARMAPTALDH1A1
SCHEMBL2370046 0.80 TDP1 (0.45) FAAHACHEMAPTALDH1A1HTT
SCHEMBL2369024 0.80 TDP1 (0.45) FAAHACHEMAPTALDH1A1HTT
SCHEMBL2369029 0.80 TDP1 (0.45) FAAHACHEMAPTALDH1A1HTT

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