SCHEMBL21390628

SCHEMBL21390628

O=Cc1ccc2c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3c3ccccc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.44
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
KIF11 P52732 2/20 0.39
HPGD P15428 2/20 0.37
AXL P30530 1/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 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
SCHEMBL29500540 0.86 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL16641452 0.86 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29776774 0.86 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29712313 0.86 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL16641373 0.86 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL16566413 0.86 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21390580 0.86 MEN1 (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21390765 0.85 ALDH1A1 (0.52) IP6K1TRIM24TRIM33ALDH1A1MAPT
SCHEMBL20269925 0.85 ALDH1A1 (0.52) IP6K1TRIM24TRIM33ALDH1A1MAPT
SCHEMBL24702033 0.85 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E

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-3547384-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION Guangzhou Chinaray Optoelectronic Materials Ltd. (CN) 2019-10-02 EP disclosed
US-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed