Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7239598

N.O=C(O)C1CCCN(C(=O)Cc2cccs2)C1

nearest known ligand 0.57

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
PKM P14618 1/20 0.57
ALDH1A1 P00352 7/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.49
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 4/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.46
CASP1 P29466 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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 SCHEMBL7239595 1.00 MAPT (0.57) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL7232816 0.99 MAPT (0.58) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL6794958 0.99 MAPT (0.58) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL7233063 0.88 MAPT (0.54) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL7232704 0.88 MAPT (0.54) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL7234226 0.85 MEN1 (0.57) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL7241560 0.83 ALDH1A1 (0.56) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL7232184 0.82 KMT2A (0.76) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL28630788 0.82 ALDH1A1 (0.55) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL7233482 0.81 ALDH1A1 (0.54) MAPTPKMALDH1A1MEN1KMT2A

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
US-6664271-B1 Amide, carbamate and uredo derivatives of 3-piperidine-carboxylic acid or ester; protecting against infection by such as escherichia coli and/or actinobacillus pleuropneumoniae ELI LILLY AND COMPANY 2003-12-16 US claimed
US-6664271-B1 Amide, carbamate and uredo derivatives of 3-piperidine-carboxylic acid or ester; protecting against infection by such as escherichia coli and/or actinobacillus pleuropneumoniae ELI LILLY AND COMPANY 2003-12-16 US disclosed