Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2911403

N.Nc1nc(CCCn2cc(C(=O)N3CCOCC3)c(-c3ccc(-n4ccnc4)cc3)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.37
FNTB P49356 4/20 0.37
ALDH1A1 P00352 6/20 0.34
MAPT P10636 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MGLL Q99685 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BCL2 P10415 1/20 0.31

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 SCHEMBL2911566 0.94 ALDH1A1 (0.33) FNTAFNTBALDH1A1MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL2909841 0.93 ALDH1A1 (0.34) FNTAFNTBALDH1A1MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL2903756 0.86 GPR119 (0.33)
Ammonia Solution, Strong SCHEMBL2912722 0.86 GPR119 (0.33)
Ammonia Solution, Strong SCHEMBL2912932 0.79 SMN1; SMN2 (0.47) FNTAFNTBALDH1A1MAPTSMN1; SMN2
SCHEMBL2906860 0.78 GSK3A (0.39) ALDH1A1MAPTSMN1; SMN2LMNAMGLL
SCHEMBL2911739 0.78 CDK1 (0.39) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2909976 0.76 GSK3A (0.39) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2904171 0.76 GSK3A (0.38) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2911578 0.76 GSK3A (0.38) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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