SCHEMBL986377

SCHEMBL986377

CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc3c(NO)nccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 13/20 0.43
▸ F13A1 P00488 11/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TGM1 P22735 8/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ PRKD1 Q15139 1/20 0.42
▸ TGM3 Q08188 1/20 0.42
▸ ACHE P22303 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
SCHEMBL988287 0.83 MEN1 (0.45) TGM2F13A1SMN1; SMN2ALDH1A1TSHR
SCHEMBL31399716 0.82 CHRM1 (0.54) TGM2F13A1SMN1; SMN2ALDH1A1TSHR
SCHEMBL31399717 0.82 CHRM1 (0.54) TGM2F13A1SMN1; SMN2ALDH1A1TSHR
SCHEMBL31399710 0.81 ALDH1A1 (0.49) TGM2F13A1SMN1; SMN2ALDH1A1TSHR
SCHEMBL987296 0.80 ROCK2 (0.59) SMN1; SMN2KDM4EHTTROCK2PRKX
SCHEMBL31399689 0.78 TGM2 (0.44) TGM2F13A1SMN1; SMN2ALDH1A1TSHR
SCHEMBL31399725 0.77 TSHR (0.50) TGM2F13A1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4266289 0.76 CNR1 (0.59) TGM2F13A1SMN1; SMN2ALDH1A1TSHR
SCHEMBL1039708 0.76 ROCK2 (0.71) SMN1; SMN2ALDH1A1TSHRKDM4ELMNA
SCHEMBL31399732 0.75 ALDH1A1 (0.65) TGM2F13A1SMN1; SMN2ALDH1A1TSHR

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
Send feedback