SCHEMBL6442018

SCHEMBL6442018

Nc1ccc(C(=O)Oc2cccc3c(-c4cc(N)ccc4C(=O)O)cccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.47
ESR1 P03372 8/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
JAK2 O60674 1/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SLC6A3 Q01959 2/20 0.39
TOP1 P11387 1/20 0.39
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL2879378 0.82 ESR1 (0.60) ESR2ESR1KMT2AMAPTHSD17B10
SCHEMBL29015053 0.78 ALDH1A1 (0.60) ESR2ESR1KMT2AMAPTHSD17B10
SCHEMBL8001713 0.77 ESR1 (0.54) ESR2ESR1KMT2AMAPTHSD17B10
SCHEMBL107412 0.76 MAPT (0.47) ESR2ESR1KMT2AMAPTSMN1; SMN2
SCHEMBL5710320 0.76 MEN1 (0.52) ESR2KMT2AMAPTHSD17B10MEN1
SCHEMBL17744875 0.75 SLC6A3 (0.48) ESR2ESR1KMT2AMAPTHSD17B10
SCHEMBL27660356 0.75 ESR1 (0.57) ESR2ESR1KMT2AMAPTHSD17B10
SCHEMBL30343057 0.75 KDM4E (0.58) ESR2ESR1KMT2AMAPTHSD17B10
SCHEMBL17744853 0.75 ESR1 (0.46) ESR2ESR1KMT2AMAPTHSD17B10
SCHEMBL29266652 0.75 ESR1 (0.46) ESR2ESR1KMT2AMAPTHSD17B10

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-1593713-A1 Polymerizable dichromophoric dichroic azo dyes Rolic AG (CH) 2005-11-09 EP disclosed