SCHEMBL8745945

SCHEMBL8745945

COc1ccc(Br)cc1C(O)c1cnccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
KAT7 O95251 1/20 0.38
KAT6A Q92794 1/20 0.38
ALPL P05186 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL15332802 0.79 PRKDC (0.36) ATMKDM4ELMNAMEN1KMT2A
SCHEMBL8745937 0.78 ATM (0.41) ATMALPLKDM4ELMNASMN1; SMN2
SCHEMBL5752891 0.73 HPGD (0.43) KDM4ELMNAKMT2AGAAMGAM
SCHEMBL4527520 0.73 MALT1 (0.39) LMNAMEN1KMT2APOLBMAPT
SCHEMBL3253017 0.72 ALDH1A1 (0.39) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL7426724 0.71 ADRA2A (0.45) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL3988110 0.71 ADRA2A (0.45) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL2228565 0.70 GAA (0.43) KAT7KAT6ALMNASMN1; SMN2KMT2A
SCHEMBL3257150 0.70 ACHE (0.38) LMNAMEN1KMT2AHSD17B10ACHE
SCHEMBL8745916 0.69 GAA (0.59) KDM4ESMN1; SMN2KMT2AHSD17B10ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed