SCHEMBL2369697

SCHEMBL2369697

NS(=O)(=O)C[C@H]1CC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
FAAH O00519 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
SCD O00767 1/20 0.36
HSPB1 P04792 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL25346294 0.85 TDP1 (0.51) TDP1ATMFAAHACHEALDH1A1
Hydrochloric Acid SCHEMBL2369289 0.84 PRKCQ (0.42) TDP1ATMFAAHACHEALDH1A1
Hydrochloric Acid SCHEMBL2369727 0.84 PRKCQ (0.42) TDP1ATMFAAHACHEALDH1A1
Hydrochloric Acid SCHEMBL2369725 0.84 PRKCQ (0.42) TDP1ATMFAAHACHEALDH1A1
SCHEMBL2369024 0.81 TDP1 (0.45) TDP1ATMFAAHACHEALDH1A1
SCHEMBL2369029 0.81 TDP1 (0.45) TDP1ATMFAAHACHEALDH1A1
SCHEMBL2370046 0.81 TDP1 (0.45) TDP1ATMFAAHACHEALDH1A1
SCHEMBL12256680 0.81 TDP1 (0.45) TDP1ATMFAAHACHEALDH1A1
SCHEMBL2391267 0.81 TDP1 (0.40) TDP1ATMFAAHACHEALDH1A1
Hydrochloric Acid SCHEMBL2370171 0.80 TDP1 (0.44) TDP1ATMFAAHACHEALDH1A1

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