SCHEMBL21392015

SCHEMBL21392015

CC(C)(C)c1ccc(N(c2ccc(-c3cc(-c4cccs4)cs3)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
PRMT6 Q96LA8 1/20 0.37
LTA4H P09960 1/20 0.36
KIF11 P52732 1/20 0.36
HSD17B1 P14061 3/20 0.35
HSD17B2 P37059 3/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HCRTR1 O43613 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 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
SCHEMBL21391895 0.90 LTA4H (0.43) KCNH2PRMT6LTA4HKIF11HDAC1
SCHEMBL21931869 0.85 TSHR (0.44) KCNH2PRMT6LTA4HKIF11HDAC1
SCHEMBL21173506 0.85 PRMT6 (0.42) KCNH2PRMT6LTA4HKIF11HDAC1
SCHEMBL21392021 0.83 HSD17B2 (0.47) KIF11HSD17B1HSD17B2CYP3A4CYP2D6
SCHEMBL1623633 0.81 LTA4H (0.52) KCNH2PRMT6LTA4HKIF11HDAC1
SCHEMBL13197621 0.80 DPP4 (0.43) KCNH2LTA4HKIF11MAPTKDM4E
SCHEMBL13197624 0.80 DPP4 (0.43) KCNH2LTA4HKIF11MAPTKDM4E
SCHEMBL21012146 0.79 APP (0.38) KIF11HSD17B1HSD17B2MAPTKDM4E
Methane SCHEMBL27303630 0.79 LTA4H (0.50) KCNH2PRMT6LTA4HKIF11HDAC1
SCHEMBL2344484 0.77 LTA4H (0.55) KCNH2PRMT6LTA4HHDAC2MAPT

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-11094474-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye composition, and oxide semiconductor electrode FUJIFILM CORPORATION (JP) 2021-08-17 US disclosed
US-20190295779-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE COMPOSITION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed