SCHEMBL21391895

SCHEMBL21391895

CC(C)(C)c1ccc(N(c2ccc(-c3cccs3)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
KCNH2 Q12809 1/20 0.42
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HCRTR1 O43613 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40

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
SCHEMBL21931869 0.94 TSHR (0.44) LTA4HKCNH2MAPTSMN1; SMN2KDM4E
SCHEMBL21173506 0.91 PRMT6 (0.42) LTA4HKCNH2MAPTSMN1; SMN2KDM4E
SCHEMBL21392015 0.90 KCNH2 (0.39) LTA4HKCNH2MAPTSMN1; SMN2KDM4E
SCHEMBL1623633 0.89 LTA4H (0.52) LTA4HKCNH2MAPTSMN1; SMN2KDM4E
SCHEMBL13197624 0.88 DPP4 (0.43) LTA4HKCNH2MAPTSMN1; SMN2KDM4E
SCHEMBL13197621 0.88 DPP4 (0.43) LTA4HKCNH2MAPTSMN1; SMN2KDM4E
Methane SCHEMBL27303630 0.88 LTA4H (0.50) LTA4HKCNH2MAPTSMN1; SMN2KDM4E
SCHEMBL2344484 0.86 LTA4H (0.55) LTA4HKCNH2MAPTSMN1; SMN2KDM4E
SCHEMBL8014120 0.86 LTA4H (0.55) LTA4HKCNH2MAPTSMN1; SMN2KDM4E
SCHEMBL15591130 0.84 LTA4H (0.53) LTA4HKCNH2MAPTSMN1; SMN2KDM4E

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