SCHEMBL5508772

SCHEMBL5508772

COC(=O)c1[nH]c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(-c3ccc(OC(C)C)cc3)c2c1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 4/20 0.41
GAA P10253 2/20 0.41
ACACB O00763 2/20 0.39
ACACA Q13085 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HSPB1 P04792 2/20 0.37
RAB9A P51151 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 3/20 0.36
RGS12 O14924 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL5509080 0.76 PTPN5 (0.37) MAPTACACBACACALMNAKDM4E
SCHEMBL5505257 0.75 ALDH1A1 (0.39) MAPTKMT2AGAAACACBACACA
SCHEMBL5518519 0.70 ACACB (0.37) ACACBACACALMNAPOLB
SCHEMBL5339900 0.70 BRD4 (0.40) SMN1; SMN2MEN1KMT2AACACBACACA
SCHEMBL335054 0.68 MAPT (0.45) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL5502096 0.67 BRD4 (0.39) ACACBACACAHPGDRAB9ALMNA
SCHEMBL11393861 0.67 HSPB1 (0.57) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL5271009 0.67 BRD4 (0.36) MAPTMEN1KMT2AACACBACACA
SCHEMBL3051773 0.67 XDH (0.56) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL1589998 0.67 HSPB1 (0.63) MAPTSMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed