SCHEMBL21939892

SCHEMBL21939892

COc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccc(OC)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4-3)c3ccsc3-c3sccc32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.33
TSPO P30536 2/20 0.32
EDNRA P25101 1/20 0.32
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL21939889 0.94 KDM4E (0.33) KDM4EMAPTHTTALDH1A1MEN1
SCHEMBL21939984 0.92 KDM4E (0.41) KDM4EMAPTHTTALDH1A1MEN1
SCHEMBL21939857 0.89 KDM4E (0.39) KDM4EMAPTHTTALDH1A1MEN1
SCHEMBL21940559 0.88 MAPT (0.41) KDM4EMAPTHTTALDH1A1MEN1
SCHEMBL21939987 0.85 KDM4E (0.39) KDM4EMAPTHTTALDH1A1MEN1
SCHEMBL21939858 0.83 KDM4E (0.37) KDM4EMAPTHTTALDH1A1MEN1
SCHEMBL21940561 0.83 KDM4E (0.38) KDM4EMAPTHTTALDH1A1MEN1
SCHEMBL8928090 0.82 MAPT (0.49) KDM4EMAPTHTTALDH1A1MEN1
SCHEMBL8928202 0.82 MAPT (0.49) KDM4EMAPTHTTALDH1A1MEN1
SCHEMBL20353804 0.82 PTGS2 (0.34)

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