SCHEMBL30429474

SCHEMBL30429474

c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)nc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
RECQL P46063 1/20 0.44
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
CACNG2 Q9Y698 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
PTGER4 P35408 1/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 2/20 0.40
FLT3 P36888 1/20 0.40
ALDH1A1 P00352 7/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL35494 1.00 ESR1 (0.47) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL11953893 1.00 ESR1 (0.47) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL11953920 0.99 ESR1 (0.46) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL13042823 0.97 ESR1 (0.52) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL13042759 0.97 ESR1 (0.52) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL20216285 0.96 ESR1 (0.49) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL11953901 0.95 RECQL (0.46) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL11953919 0.95 RECQL (0.46) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL13043041 0.95 ESR1 (0.50) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL12571639 0.94 ESR1 (0.46) ESR1ESR2RECQLGRIA1CACNG8

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-3399568-B1 ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2023-03-22 EP disclosed