Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2908714

N.Nc1nc(CCCn2cc(-c3ccc(Cl)cc3Cl)cc2C(=O)N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
ALPL P05186 1/20 0.38
HTT P42858 1/20 0.38
GSK3B P49841 2/20 0.37
GSK3A P49840 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
GAA P10253 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
Ammonia Solution, Strong SCHEMBL2912932 0.84 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1TP53HPGD
Ammonia Solution, Strong SCHEMBL2911692 0.82 MET (0.41) DPP4DPP8DPP9GSK3BGSK3A
SCHEMBL2911942 0.76 CYP2C19 (0.50) SMN1; SMN2RAB9AGSK3BGSK3AMAPT
SCHEMBL2911669 0.76 LMNA (0.53) SMN1; SMN2RAB9AHTTGSK3BGSK3A
Ammonia Solution, Strong SCHEMBL2909794 0.74 GSK3B (0.41) DPP4GSK3BGSK3ALMNAALDH1A1
Ammonia Solution, Strong SCHEMBL2906802 0.73 GSK3B (0.41) DPP4HTTGSK3BGSK3AMAPT
SCHEMBL2903944 0.73 GSK3B (0.51) SMN1; SMN2HTTGSK3BGSK3AMAPT
SCHEMBL2912205 0.71 GSK3B (0.49) RAB9ADPP4DPP8GSK3BGSK3A
SCHEMBL2907104 0.71 GSK3B (0.49) DPP4DPP8GSK3BGSK3AMAPT
SCHEMBL2913436 0.70 GSK3B (0.48) SMN1; SMN2ALPLHTTGSK3BGSK3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed