SCHEMBL21390582

SCHEMBL21390582

C=Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.34
PTGES O14684 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPY5R Q15761 1/20 0.32
DHODH Q02127 2/20 0.32
DNM1 Q05193 1/20 0.32
MCL1 Q07820 2/20 0.31
POLB P06746 3/20 0.31
KDM4E B2RXH2 3/20 0.30
ALDH1A1 P00352 3/20 0.30
MAPT P10636 2/20 0.30
MAPK1 P28482 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
ACHE P22303 1/20 0.30
CYP19A1 P11511 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 2/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL14405609 0.96 PTGES (0.32) PTGESMEN1KMT2ADHODHPOLB
SCHEMBL21390598 0.96 KDM4E (0.38) TSPOPTGESMEN1KMT2ANPY5R
SCHEMBL21390625 0.95 KDM4E (0.31) TSPOPTGESMEN1KMT2ANPY5R
SCHEMBL21390581 0.95 KDM4E (0.31) TSPOPTGESMEN1KMT2ANPY5R
SCHEMBL21390624 0.92 PTGES (0.33) TSPOPTGES
SCHEMBL15459662 0.89 TSPO (0.40) TSPOPTGESMEN1KMT2ANPY5R
SCHEMBL17228152 0.89 TSPO (0.40) TSPOPTGESMEN1KMT2ANPY5R
SCHEMBL25899011 0.89 TSPO (0.40) TSPOPTGESMEN1KMT2ANPY5R
SCHEMBL21390589 0.87 KDM4E (0.32) KDM4EL3MBTL1
SCHEMBL19928002 0.85 MEN1 (0.42) MEN1KMT2ADHODHMCL1POLB

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