SCHEMBL14775138

SCHEMBL14775138

CC[C@](O)(COS(=O)(=O)c1ccc(C)cc1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.36
MITF O75030 1/20 0.36
SOS1 Q07889 1/20 0.34
HTT P42858 1/20 0.32
PSMD10 O75832 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 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
SCHEMBL14775141 1.00 PKM (0.40) PKMALDH1A1KMT2AMITFSOS1
SCHEMBL5535905 0.88 PKM (0.41) PKMALDH1A1KMT2AMITFSOS1
SCHEMBL5539492 0.88 PKM (0.41) PKMALDH1A1KMT2AMITFSOS1
SCHEMBL5536543 0.77 PKM (0.42) PKMALDH1A1KMT2AMITFSOS1
SCHEMBL5536554 0.77 PKM (0.42) PKMALDH1A1KMT2AMITFSOS1
SCHEMBL13280888 0.75 PKM (0.40) PKMALDH1A1KMT2AMITFSOS1
SCHEMBL5536364 0.73 ALDH1A1 (0.37) PKMALDH1A1KMT2AMITFSOS1
SCHEMBL5541968 0.73 ALDH1A1 (0.37) PKMALDH1A1KMT2AMITFSOS1
SCHEMBL14562772 0.69 ALDH1A1 (0.44) PKMALDH1A1KMT2AMITFSOS1
SCHEMBL14563017 0.69 ALDH1A1 (0.44) PKMALDH1A1KMT2AMITFSOS1

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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed