SCHEMBL22707441

SCHEMBL22707441

Cn1c(-c2cccc3c(-c4ccccc4)c4cccc(-c5nc6ccc7ccccc7c6n5C)c4cc23)nc2ccc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PRSS1 P07477 1/20 0.42
CYP11B2 P19099 1/20 0.41
PDE10A Q9Y233 1/20 0.40
DHODH Q02127 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 3/20 0.38
PARP1 P09874 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL22705797 0.90 CYP11B2 (0.45) F2F10PLGPLAUPRSS1
SCHEMBL22707442 0.84 MEN1 (0.38) PDE10AKDM4EESR1ESR2PARP1
SCHEMBL13632778 0.84 DHODH (0.49) F2F10PLGPLAUPRSS1
SCHEMBL822550 0.81 DHODH (0.51) CYP11B2PDE10ADHODHKDM4EMAPT
SCHEMBL22706987 0.81 KDM4E (0.48) F2F10PLGPLAUPRSS1
SCHEMBL22706713 0.76 F2 (0.48) F2F10PLGPLAUPRSS1
SCHEMBL22705664 0.75 F2 (0.48) F2F10PLGPLAUPRSS1
SCHEMBL22705798 0.75 PARP1 (0.38) KDM4EESR1ESR2PARP1MAPT
SCHEMBL22706729 0.75 F2 (0.47) F2F10PLGPLAUPRSS1
SCHEMBL22706865 0.75 F2 (0.47) F2F10PLGPLAUPRSS1

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed