SCHEMBL21390620

SCHEMBL21390620

C=CCc1cccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)n3)cc(-c3ccccc3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
GSK3B P49841 5/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GAA P10253 1/20 0.39
PRKCI P41743 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL21390618 0.88 CYP19A1 (0.49) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL21390285 0.87 PRKCI (0.47) MAPTPTGS2GAAPRKCIADORA2A
SCHEMBL21390623 0.85 KDM4E (0.43) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL21390491 0.81 CYP19A1 (0.43) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL21390602 0.81 PTGS2 (0.50) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL21390728 0.80 MEN1 (0.47) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL21390604 0.80 PTGS2 (0.48) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL21390745 0.77 GBA1 (0.44) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL21390737 0.77 MAPT (0.41) MAPTPTGS2CYP3A4GSK3BGAA
SCHEMBL3792469 0.76 PTGS2 (0.49) MAPTKMT2AMEN1ALDH1A1HPGD

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