SCHEMBL21940016

SCHEMBL21940016

CCn1c2cc(OC)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c7ccc(SC)cc7n(CC)c6c5)ccc3-4)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.36
TP53 P04637 2/20 0.33
NOX1 Q9Y5S8 3/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
METAP2 P50579 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL21940004 0.92 DYRK1A (0.39) DYRK1ANOX1MAPTMAPK1HTT
SCHEMBL21939862 0.90 KDM4E (0.38) DYRK1AMAPTMAPK1HTTSMN1; SMN2
SCHEMBL21940555 0.89 DYRK1A (0.35) DYRK1ATP53NOX1MAPTMAPK1
SCHEMBL21940167 0.88 DYRK1A (0.34) DYRK1ATP53MAPTMAPK1HTT
SCHEMBL21940012 0.87 METAP2 (0.37) DYRK1AMAPTSMN1; SMN2METAP2KDM4E
SCHEMBL21939980 0.86 METAP2 (0.34) DYRK1ATP53MAPTHTTSMN1; SMN2
SCHEMBL21940017 0.86 PTGER4 (0.41) MAPTHTTSMN1; SMN2MEN1LMNA
SCHEMBL21940019 0.85 DYRK1A (0.44) DYRK1AMAPTMAPK1HTTSMN1; SMN2
SCHEMBL21939861 0.85 MAPT (0.41) TP53MAPTMAPK1HTTSMN1; SMN2
SCHEMBL21939869 0.83 DYRK1A (0.39) DYRK1AMAPTMAPK1HTTSMN1; 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