SCHEMBL21940004

SCHEMBL21940004

CCn1c2cc(OC)ccc2c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(N(c5ccccc5)c5ccc6c7ccc(OC)cc7n(CC)c6c5)ccc3-4)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.39
METAP2 P50579 2/20 0.35
GRIK2 Q13002 2/20 0.35
NOX1 Q9Y5S8 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIK1 P39086 1/20 0.34
PDE5A O76074 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL21939862 0.93 KDM4E (0.38) DYRK1AGRIK2MAPK1HTTMAPT
SCHEMBL21940016 0.92 DYRK1A (0.36) DYRK1AMETAP2GRIK2NOX1MAPK1
SCHEMBL21939869 0.91 DYRK1A (0.39) DYRK1AMETAP2GRIK2MAPK1HTT
SCHEMBL21940012 0.91 METAP2 (0.37) DYRK1AMETAP2GRIK2MAPTSMN1; SMN2
SCHEMBL21940555 0.91 DYRK1A (0.35) DYRK1AMETAP2GRIK2NOX1MAPK1
SCHEMBL21939628 0.89 KDM1A (0.36) MAPK1HTTMAPTMEN1LMNA
SCHEMBL21940017 0.88 PTGER4 (0.41) GRIK2HTTMAPTSMN1; SMN2MEN1
SCHEMBL21940556 0.87 NLRP3 (0.30)
SCHEMBL21940019 0.87 DYRK1A (0.44) DYRK1AMETAP2GRIK2MAPK1HTT
SCHEMBL21939861 0.87 MAPT (0.41) GRIK2MAPK1HTTMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11177403-B2 Perovskite solar cell KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-11-16 US disclosed
US-20200119206-A1 PEROVSKITE SOLAR CELL KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-04-16 US disclosed