SCHEMBL21390765

SCHEMBL21390765

O=Cc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
DRD1 P21728 1/20 0.46
CYP2A6 P11509 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 2/20 0.43
IP6K1 Q92551 1/20 0.43
ELANE P08246 1/20 0.42
KMO O15229 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL20269925 1.00 ALDH1A1 (0.52) ALDH1A1MAPTTRIM24TRIM33DRD1
SCHEMBL11549916 0.89 ALDH1A1 (0.57) ALDH1A1MAPTTRIM24TRIM33DRD1
SCHEMBL13617691 0.87 ALDH1A1 (0.56) ALDH1A1MAPTTRIM24TRIM33DRD1
SCHEMBL29936157 0.87 ALDH1A1 (0.56) ALDH1A1MAPTTRIM24TRIM33DRD1
SCHEMBL29936396 0.87 ALDH1A1 (0.56) ALDH1A1MAPTTRIM24TRIM33DRD1
SCHEMBL19762154 0.85 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL21709138 0.85 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL19762182 0.85 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL21037531 0.85 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL19762121 0.85 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2AHPGD

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
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