SCHEMBL28820178

SCHEMBL28820178

COc1cccc(Cn2nccc2C(OC)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
CMA1 P23946 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LPO P22079 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HCAR3 P49019 1/20 0.45
FAAH O00519 2/20 0.44
TAAR1 Q96RJ0 3/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL1491056 0.79 MEN1 (0.57) SIGMAR1CMA1MEN1KMT2ALPO
SCHEMBL3605750 0.79 CMA1 (0.51) SIGMAR1CMA1MEN1KMT2ALPO
SCHEMBL16815257 0.77 KDM4E (0.51) MEN1KMT2AALDH1A1GAAPKM
SCHEMBL28019832 0.74 ALDH1A1 (0.47) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL16815499 0.72 NPBWR1 (0.45) MEN1KMT2AALDH1A1GAAPKM
SCHEMBL31505857 0.72 NPBWR1 (0.45) MEN1KMT2AALDH1A1GAAPKM
SCHEMBL28019780 0.70 MEN1 (0.50) SIGMAR1CMA1MEN1KMT2ALPO
SCHEMBL5792386 0.70 MEN1 (0.59) SIGMAR1CMA1MEN1KMT2ALPO
SCHEMBL30046633 0.70 MEN1 (0.59) SIGMAR1CMA1MEN1KMT2ALPO
SCHEMBL1801928 0.69 MEN1 (0.59) SIGMAR1CMA1MEN1KMT2ALPO

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
CN-104725397-A Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2015-06-24 CN disclosed