SCHEMBL2224358

SCHEMBL2224358

CC[C@H]1Oc2nc([N+](=O)[O-])cn2C[C@H]1OS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 4/20 0.34
MITF O75030 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
SCHEMBL2224363 1.00 CHRM1 (0.38) CHRM1ALDH1A1KCNH2MITF
SCHEMBL2228306 0.80 CHRM1 (0.39) CHRM1ALDH1A1KCNH2MITF
SCHEMBL12519001 0.80 CHRM1 (0.39) CHRM1ALDH1A1KCNH2MITF
SCHEMBL12518013 0.80 CHRM1 (0.39) CHRM1ALDH1A1KCNH2MITF
SCHEMBL12517689 0.80 CHRM1 (0.39) CHRM1ALDH1A1KCNH2MITF
SCHEMBL2224301 0.78 CHRM1 (0.36) CHRM1ALDH1A1KCNH2
SCHEMBL12519236 0.78 CHRM1 (0.36) CHRM1ALDH1A1KCNH2
SCHEMBL5539172 0.77 CHRM1 (0.39) CHRM1ALDH1A1KCNH2MITF
SCHEMBL18031624 0.76 CHRM1 (0.41) CHRM1ALDH1A1KCNH2MITF
SCHEMBL14004017 0.76 CHRM1 (0.52) CHRM1ALDH1A1KCNH2

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
WO-2011087995-A2 ORGANIC COMPOUNDS BARRY CLIFTON (US) 2011-07-21 WO disclosed