SCHEMBL21940019

SCHEMBL21940019

CCn1c2cc(OC)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(OC)cc6)c6ccc7c8ccc(OC)cc8n(CC)c7c6)ccc5-4)c4cc(N(c5ccc(OC)cc5)c5ccc6c7ccc(OC)cc7n(CC)c6c5)ccc4-c4ccc(N(c5ccc(OC)cc5)c5ccc6c7ccc(OC)cc7n(CC)c6c5)cc43)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.44
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
METAP2 P50579 2/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GRIK2 Q13002 2/20 0.38
PTGER4 P35408 1/20 0.38
GRIK1 P39086 1/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
HIF1A Q16665 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
SCHEMBL21940560 0.92 GRIK2 (0.44) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL24022279 0.92 DYRK1A (0.39) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL21939869 0.91 DYRK1A (0.39) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL21939622 0.89 GRIK2 (0.41) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL21939877 0.88 METAP2 (0.37) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL24022126 0.87 DYRK1A (0.36) DYRK1AKDM4EALDH1A1METAP2NPSR1
SCHEMBL21940004 0.87 DYRK1A (0.39) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL21940154 0.87 DYRK1A (0.36) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL24022101 0.86 HTR2C (0.35) DYRK1AKDM4EALDH1A1HTTMETAP2
SCHEMBL21940557 0.86 DYRK1A (0.36) DYRK1AKDM4EALDH1A1MAPK1HTT

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