SCHEMBL2224586

SCHEMBL2224586

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PKM P14618 2/20 0.42
KMT2A Q03164 3/20 0.41
MITF O75030 1/20 0.41
SOS1 Q07889 1/20 0.39
POLB P06746 1/20 0.34
CHRM1 P11229 1/20 0.34
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL27610264 0.84 ALDH1A1 (0.46) ALDH1A1PKMKMT2AMITFSOS1
SCHEMBL27629456 0.84 ALDH1A1 (0.46) ALDH1A1PKMKMT2AMITFSOS1
SCHEMBL28756702 0.81 ALDH1A1 (0.43) ALDH1A1PKMKMT2AMITFSOS1
SCHEMBL2224735 0.81 ALDH1A1 (0.38) ALDH1A1PKMKMT2AMITFSOS1
SCHEMBL2223253 0.80 ALDH1A1 (0.37) ALDH1A1PKMKMT2AMITFSOS1
SCHEMBL28531344 0.80 CHRM1 (0.47) ALDH1A1PKMKMT2AMITFSOS1
SCHEMBL28523274 0.80 ALDH1A1 (0.42) ALDH1A1PKMKMT2AMITFSOS1
SCHEMBL5539609 0.80 CHRM1 (0.47) ALDH1A1PKMKMT2AMITFSOS1
SCHEMBL28523272 0.80 ALDH1A1 (0.42) ALDH1A1PKMKMT2AMITFSOS1
SCHEMBL14004051 0.80 ALDH1A1 (0.46) ALDH1A1PKMKMT2AMITFSOS1

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