SCHEMBL8745937

SCHEMBL8745937

COc1ccc(Br)cc1C(OC(=O)C(C)(C)C)c1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
ALPL P05186 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
POLB P06746 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KLK3 P07288 1/20 0.34
LRRK2 Q5S007 1/20 0.33
HTT P42858 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
SCHEMBL8745945 0.78 ATM (0.48) ATMALPLLMNAKDM4ESMN1; SMN2
SCHEMBL8745939 0.75 SMN1; SMN2 (0.35) LMNAKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL29662465 0.62 ADRA2A (0.38) KDM4ESMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL16293581 0.62 PTGS1 (0.60) LMNAKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL16293537 0.62 PTGS1 (0.60) LMNAKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL16293535 0.62 PTGS1 (0.60) LMNAKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL18560451 0.61 ALDH1A1 (0.48) LMNAKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL20855709 0.61 ADRA2A (0.40) LMNAKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL20855710 0.61 ADRA2A (0.40) LMNAKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7426724 0.61 ADRA2A (0.45) LMNAKDM4EKMT2AMEN1ALDH1A1

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-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed