SCHEMBL9031883

SCHEMBL9031883

CN(C)OC(=O)c1c(O)cccc1-n1cccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
G6PD P11413 1/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 4/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL9051883 0.82 CA12 (0.60) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL9049314 0.79 LMNA (0.51) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL9031690 0.76 HCRTR1 (0.42) ALDH1A1GAAHCRTR1HCRTR2
SCHEMBL1785970 0.71 ALDH1A1 (0.62) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL27343976 0.70 ALDH1A1 (0.56) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL24498386 0.70 KDM4E (0.51) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL206362 0.69 KDM4E (0.64) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL29660514 0.69 KDM4E (0.64) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL9315569 0.69 CA12 (0.48) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL9317239 0.69 CA12 (0.48) KMT2AMEN1LMNAGAACA12

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-0527378-B1 Salicyl(thio)ethers derivatives, process and intermediates for their preparation BASF AG (DE) 1996-02-28 EP disclosed
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed
EP-0527378-A1 Salicyl(thio)ethers derivatives, process and intermediates for their preparation BASF Aktiengesellschaft (DE) 1993-02-17 EP disclosed