SCHEMBL6300684

SCHEMBL6300684

COC(=O)Cn1c(=O)oc(=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.47
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3456759 0.86 KDM4E (0.62) KDM4EKMT2AALDH1A1HSD17B10TSHR
SCHEMBL11747954 0.84 HPGD (0.48) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL6717405 0.82 HPGD (0.66) KDM4ESMN1; SMN2KMT2AALDH1A1TSHR
SCHEMBL3538416 0.82 KDM4E (0.64) KDM4EALDH1A1
SCHEMBL5579714 0.82 HDAC1 (0.49) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3202252 0.81 KDM4E (0.69) KDM4ESMN1; SMN2KMT2AALDH1A1HSD17B10
SCHEMBL11745728 0.80 SMN1; SMN2 (0.52) KDM4ESMN1; SMN2KMT2AALDH1A1TSHR
SCHEMBL29811259 0.79 HTT (0.44) KDM4ESMN1; SMN2ALDH1A1HSD17B10TSHR
SCHEMBL27210129 0.79 HTT (0.44) KDM4ESMN1; SMN2ALDH1A1HSD17B10TSHR
SCHEMBL11750147 0.79 CDYL (0.57) KMT2AALDH1A1RAB9AMEN1

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
US-6903197-B2 Azoxy dyes and copper complexes thereof BASF AKTIENGESELLSCHAFT (DE) 2005-06-07 US disclosed
US-20040204570-A1 Azoxy dyes and copper complexes thereof BASF AKIENGESELLSCHAFT (DE) 2004-10-14 US disclosed
US-6727351-B1 COMPLEXING, COUPLING, AND DEACYLATION BASF AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed