SCHEMBL2223253

SCHEMBL2223253

CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MITF O75030 1/20 0.36
PKM P14618 2/20 0.35
KMT2A Q03164 1/20 0.34
SOS1 Q07889 1/20 0.32

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
SCHEMBL2224735 0.86 ALDH1A1 (0.38) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL2269228 0.82 PKM (0.33) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL2224586 0.80 ALDH1A1 (0.47) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL4777751 0.79 PKM (0.36) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL4777755 0.79 PKM (0.36) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL2225461 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14004054 0.78 ALDH1A1 (0.39) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL2224533 0.77 KCNH2 (0.35) PKM
SCHEMBL2227515 0.77 CHRM1 (0.42) ALDH1A1SOS1
SCHEMBL27629456 0.74 ALDH1A1 (0.46) ALDH1A1MITFPKMKMT2ASOS1

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