SCHEMBL21940557

SCHEMBL21940557

CCn1c2cc(OC)ccc2c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(N(c6ccccc6)c6ccc7c8ccc(OC)cc8n(CC)c7c6)ccc5-4)c4ccsc4-c4sccc43)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.36
METAP2 P50579 2/20 0.35
GRIK2 Q13002 2/20 0.34
PDE5A O76074 1/20 0.33
GRIK1 P39086 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 4/20 0.32
POLB P06746 2/20 0.32
ACSS2 Q9NR19 1/20 0.32
PTGER4 P35408 1/20 0.31
MAPT P10636 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 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
SCHEMBL21939617 0.93 METAP2 (0.34) DYRK1AMETAP2GRIK2PDE5AALDH1A1
SCHEMBL21940561 0.93 KDM4E (0.38) GRIK2ALDH1A1MAPK1KDM4EHTT
SCHEMBL21939619 0.92 METAP2 (0.35) METAP2ACSS2
SCHEMBL21940541 0.91 METAP2 (0.36) METAP2GRIK2GRIK1ALDH1A1KDM4E
SCHEMBL21939887 0.90 HTR2C (0.31) METAP2ALDH1A1KDM4ENPSR1MAPT
SCHEMBL21940562 0.89 KDM1A (0.36) ALDH1A1MAPK1KDM4EHTTHSD17B10
SCHEMBL24022113 0.89 DYRK1A (0.34) DYRK1AMETAP2GRIK2GRIK1
SCHEMBL21939869 0.88 DYRK1A (0.39) DYRK1AMETAP2GRIK2PDE5AGRIK1
SCHEMBL21940565 0.88 QPCT (0.32) DYRK1AMETAP2
SCHEMBL24022112 0.88

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