Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2379552

CC1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1.N

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
SCD O00767 1/20 0.40
MAPK1 P28482 1/20 0.40
HSPB1 P04792 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR174 Q9BXC1 1/20 0.37
FAAH O00519 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL25346294 0.92 TDP1 (0.51) TDP1ATMMAPTALDH1A1SCD
SCHEMBL2369463 0.88 TDP1 (0.45) TDP1ATMMAPTALDH1A1SCD
SCHEMBL2369459 0.88 TDP1 (0.45) TDP1ATMMAPTALDH1A1SCD
SCHEMBL2069831 0.86 TDP1 (0.49) TDP1ATMMAPTALDH1A1SCD
SCHEMBL2369024 0.85 TDP1 (0.45) TDP1ATMMAPTALDH1A1SCD
SCHEMBL2369029 0.85 TDP1 (0.45) TDP1ATMMAPTALDH1A1SCD
SCHEMBL2370046 0.85 TDP1 (0.45) TDP1ATMMAPTALDH1A1SCD
SCHEMBL12256680 0.85 TDP1 (0.45) TDP1ATMMAPTALDH1A1SCD
SCHEMBL12256706 0.84 TDP1 (0.42) TDP1ATMMAPTALDH1A1SCD
SCHEMBL12256688 0.84 TDP1 (0.42) TDP1ATMMAPTALDH1A1SCD

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