SCHEMBL10353362

SCHEMBL10353362

c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6c7ccccc7c7cccnc7c6n5)c4)ccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 7/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ CCR1 P32246 2/20 0.33
▸ CCR8 P51685 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ DHFR P00374 1/20 0.33
▸ MAP4K4 O95819 1/20 0.32

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
SCHEMBL13808770 0.96 TOP1 (0.39) TOP1ALDH1A1MAPTCCR1CCR8
SCHEMBL23784955 0.94 TOP1 (0.40) TOP1ALDH1A1CCR1CCR8L3MBTL1
SCHEMBL10353316 0.90 CYP19A1 (0.42) ALDH1A1MAPTCCR1CCR8L3MBTL1
SCHEMBL10353574 0.89 CCR1 (0.40) TOP1MAPTCCR1CCR8L3MBTL1
SCHEMBL13808771 0.87 TOP1 (0.41) TOP1MAPTCCR1CCR8L3MBTL1
SCHEMBL13046224 0.85 MEN1 (0.39) ALDH1A1MAPTESR1ESR2
SCHEMBL15761454 0.85 ALDH1A1 (0.40) TOP1ALDH1A1MAPTCCR1CCR8
SCHEMBL12708926 0.84 CCR1 (0.43) TOP1ALDH1A1MAPTCCR1CCR8
SCHEMBL17789454 0.84 ALDH1A1 (0.37) TOP1ALDH1A1MAPTCCR1CCR8
SCHEMBL17789473 0.84 ALDH1A1 (0.37) TOP1ALDH1A1MAPTCCR1CCR8

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-2560220-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2013-02-20 — — EP disclosed
US-20120181922-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 — — US disclosed
US-20120181922-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 — — US disclosed
Send feedback