SCHEMBL25787162

SCHEMBL25787162

c1ccc(-n2c(-c3ccc(-c4cc5ccccc5c5c4oc4ccc6ccccc6c45)cc3)nc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ PRKACA P17612 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ GRIA1 P42261 1/20 0.41
▸ CACNG8 Q8WXS5 1/20 0.41
▸ CACNG2 Q9Y698 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.37

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
SCHEMBL24108459 0.97 ESR1 (0.49) ESR1ESR2PRKACARPS6KB1GSK3B
SCHEMBL18029493 0.87 AHR (0.41) ESR1ESR2PRKACARPS6KB1GSK3B
SCHEMBL18029547 0.86 PDE10A (0.41) ESR1ESR2RECQLHTTMAPK1
SCHEMBL9976878 0.84 ESR1 (0.50) ESR1ESR2PRKACARPS6KB1GSK3B
SCHEMBL18717961 0.83 KDM4E (0.41) SIRT2SIRT1MEN1KMT2AMAPT
SCHEMBL18029546 0.82 AHR (0.39) ESR1ESR2PRKACARPS6KB1GSK3B
SCHEMBL15394544 0.82 ESR1 (0.45) ESR1ESR2PRKACARPS6KB1GSK3B
SCHEMBL9611911 0.81 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12349702 0.81 ESR1 (0.41) ESR1ESR2PRKACARPS6KB1GSK3B
SCHEMBL12567951 0.81 ESR1 (0.42) ESR1ESR2PRKACARPS6KB1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230292595-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-09-14 — — US disclosed
US-20230292595-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-09-14 — — US disclosed
US-20230270004-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-08-24 — — US disclosed
US-20230270004-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-08-24 — — US disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 — — US disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 — — US disclosed
Send feedback