SCHEMBL21940012

SCHEMBL21940012

CCn1c2cc(-c3ccccc3)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c7ccc(-c8ccccc8)cc7n(CC)c6c5)ccc3-4)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.37
GRIK2 Q13002 4/20 0.35
PDK2 Q15119 1/20 0.35
TSPO P30536 4/20 0.35
GRIK1 P39086 2/20 0.34
DYRK1A Q13627 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL21940001 0.92 PDK2 (0.40) METAP2GRIK2PDK2TSPOGRIK1
SCHEMBL21940013 0.91 TSPO (0.40) GRIK2PDK2TSPOGRIK1KDM4E
SCHEMBL21939862 0.91 KDM4E (0.38) GRIK2TSPODYRK1AKDM4EALDH1A1
SCHEMBL21940004 0.91 DYRK1A (0.39) METAP2GRIK2GRIK1DYRK1AKDM4E
SCHEMBL21940555 0.89 DYRK1A (0.35) METAP2GRIK2GRIK1DYRK1AKDM4E
SCHEMBL24022133 0.88 METAP2 (0.37) METAP2GRIK2PDK2TSPOGRIK1
SCHEMBL21940016 0.87 DYRK1A (0.36) METAP2GRIK2DYRK1AKDM4EALDH1A1
SCHEMBL21940541 0.87 METAP2 (0.36) METAP2GRIK2PDK2TSPOGRIK1
SCHEMBL21939861 0.85 MAPT (0.41) GRIK2TSPOKDM4EALDH1A1CYP1A2
SCHEMBL21939628 0.84 KDM1A (0.36) KDM4EALDH1A1MAPTHPGDNPSR1

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