SCHEMBL9004438

SCHEMBL9004438

CO/C=C(/C(=O)OC)c1ccccc1CC=NOc1ccc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 6/20 0.33
NPC1 O15118 5/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 2/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ABCB1 P08183 1/20 0.32
SLC16A1 P53985 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL31289594 0.83 SMN1; SMN2 (0.39) ATMSMN1; SMN2KDM4ELMNARAB9A
SCHEMBL203004 0.83 SMN1; SMN2 (0.39) ATMSMN1; SMN2KDM4ELMNARAB9A
SCHEMBL29358985 0.83 SMN1; SMN2 (0.39) ATMSMN1; SMN2KDM4ELMNARAB9A
SCHEMBL8338895 0.74 GABRA5 (0.42) SMN1; SMN2KDM4ELMNARAB9ANPC1
SCHEMBL2851880 0.74 GABRA5 (0.42) SMN1; SMN2KDM4ELMNARAB9ANPC1
SCHEMBL2851872 0.74 GABRA5 (0.42) SMN1; SMN2KDM4ELMNARAB9ANPC1
SCHEMBL8827747 0.72 KDM4E (0.38) SMN1; SMN2KDM4ELMNARAB9ANPC1
SCHEMBL29437612 0.71 ALDH1A1 (0.41) ATMSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL5257839 0.71 ALDH1A1 (0.41) ATMSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL5257837 0.71 ALDH1A1 (0.41) ATMSMN1; SMN2KDM4ELMNAALDH1A1

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-0730517-A1 TIMBER PRESERVATIVE CONTAINING A COPPER COMPOUND BAYER AG (DE) 1996-09-11 EP disclosed
WO-1995014558-A1 TIMBER PRESERVATIVE CONTAINING A COPPER COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1995-06-01 WO disclosed
WO-1995011786-A1 TIMBER PROTECTING MEDIUM CONTAINING A COPPER COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1995-05-04 WO disclosed