SCHEMBL8978431

SCHEMBL8978431

Oc1nccc(Cl)c1Cl.[Cu]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.39
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
HSP90AA1 P07900 3/20 0.36
MMP14 P50281 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
SLC6A2 P23975 2/20 0.36
OPRK1 P41145 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15B O15296 1/20 0.36

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
SCHEMBL911494 0.97
SCHEMBL9668755 0.79
SCHEMBL6130237 0.79
SCHEMBL3725619 0.77
SCHEMBL7434139 0.75
SCHEMBL22980311 0.75
SCHEMBL7434133 0.75
SCHEMBL27381846 0.75
SCHEMBL28734127 0.75
SCHEMBL1191547 0.75

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532861-B1 Method for producing a carbonic acid ester MITSUBISHI CHEM CORP (JP) 1996-05-01 EP disclosed
US-5227510-A 2-Hydroxypyridine Complexes MITSUBISHI KASEI CORPORATION (JP) 1993-07-13 US disclosed
EP-0532861-A1 Method for producing a carbonic acid ester Mitsubishi Chemical Corporation (JP) 1993-03-24 EP disclosed