SCHEMBL988287

SCHEMBL988287

CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc3c([N+](=O)[O-])nccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MET P08581 1/20 0.42
▸ TGM2 P21980 10/20 0.42
▸ F13A1 P00488 8/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TGM1 P22735 5/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ PRKX P51817 1/20 0.41
▸ PRKCE Q02156 1/20 0.41
▸ PRKCD Q05655 1/20 0.41

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
SCHEMBL986377 0.83 TGM2 (0.43) TGM2F13A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL31399716 0.81 CHRM1 (0.54) TGM2F13A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL31399717 0.81 CHRM1 (0.54) TGM2F13A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL31399710 0.80 ALDH1A1 (0.49) TGM2F13A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL987296 0.78 ROCK2 (0.59) MEN1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL31399689 0.77 TGM2 (0.44) TGM2F13A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL31399725 0.75 TSHR (0.50) TGM2F13A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL18229990 0.75 PKM (0.62) MEN1KMT2AMETALDH1A1LMNA
SCHEMBL4266289 0.75 CNR1 (0.59) MEN1KMT2ATGM2F13A1ALDH1A1
SCHEMBL31399732 0.74 ALDH1A1 (0.65) MEN1KMT2ATGM2F13A1ALDH1A1

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
US-7867999-B1 Hydroxyamino- and amino-substituted pyridine analogs for treating rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2011-01-11 — — US disclosed
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