SCHEMBL21377587

SCHEMBL21377587

CCCCC(CC)Cn1nc2cc(F)c(F)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
TDP1 Q9NUW8 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL726824 0.89 LMNA (0.34) MAPTLMNA
SCHEMBL30524949 0.88 LMNA (0.35) MAPTLMNA
SCHEMBL2580465 0.81 ALDH1A1 (0.46) ALDH1A1TDP1CHRM2HTR1AADRA2A
SCHEMBL19917331 0.76 CSNK2A1 (0.41) ALDH1A1CHRM2HTR1AADRA2AADORA3
SCHEMBL16862907 0.74 TOP2A (0.42) MAPTTSHRKMT2AMEN1LMNA
SCHEMBL28962111 0.74 CSNK2A1 (0.44) ALDH1A1TDP1CHRM2HTR1AADRA2A
SCHEMBL20355951 0.74 CSNK2A1 (0.47) ALDH1A1TDP1CHRM2HTR1AADRA2A
SCHEMBL19917333 0.72 ALDH1A1 (0.39) ALDH1A1TDP1CHRM2HTR1AADRA2A
SCHEMBL28215244 0.71 ALDH1A1 (0.43) ALDH1A1TDP1CHRM2HTR1AADRA2A
SCHEMBL31497297 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDGAAHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11711966-B2 Polymer and organic solar cell comprising same LG CHEM, LTD. (KR) 2023-07-25 US disclosed
US-11711966-B2 Polymer and organic solar cell comprising same LG CHEM, LTD. (KR) 2023-07-25 US disclosed
US-20210305511-A1 POLYMER AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEM, LTD. (KR) 2021-09-30 US disclosed
WO-2019177284-A1 POLYMER AND ORGANIC SOLAR CELL COMPRISING SAME 주식회사 엘지화학 2019-09-19 WO disclosed