SCHEMBL21940541

SCHEMBL21940541

CCn1c2cc(-c3ccccc3)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(OC)cc6)c6ccc7c8ccc(-c9ccccc9)cc8n(CC)c7c6)ccc5-4)c4ccsc4-c4sccc43)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.36
GRIK2 Q13002 4/20 0.34
TSPO P30536 6/20 0.34
GRIK1 P39086 2/20 0.33
PDK2 Q15119 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
SCHEMBL21940545 0.93 METAP2 (0.33) METAP2TSPO
SCHEMBL24022282 0.91 TSPO (0.40) GRIK2TSPOGRIK1PDK2KDM4E
SCHEMBL21940561 0.91 KDM4E (0.38) GRIK2TSPOKDM4EALDH1A1CYP1A2
SCHEMBL21940557 0.91 DYRK1A (0.36) METAP2GRIK2GRIK1KDM4EALDH1A1
SCHEMBL21939617 0.90 METAP2 (0.34) METAP2GRIK2KDM4EALDH1A1CYP1A2
SCHEMBL21940001 0.89 PDK2 (0.40) METAP2GRIK2TSPOGRIK1PDK2
SCHEMBL21939887 0.88 HTR2C (0.31) METAP2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL24022113 0.88 DYRK1A (0.34) METAP2GRIK2GRIK1
SCHEMBL21940012 0.87 METAP2 (0.37) METAP2GRIK2TSPOGRIK1PDK2
SCHEMBL21940565 0.87 QPCT (0.32) METAP2

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