SCHEMBL19230461

SCHEMBL19230461

Ic1ccc2cc3c(I)cccc3cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 3/20 0.37
HIF1A Q16665 2/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HBB P68871 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 2/20 0.34
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
AHR P35869 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL31072226 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL30903863 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL4614015 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL31108395 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL6561370 0.83 CYP1A2 (0.35) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL6562931 0.83 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1CYP3A4
SCHEMBL16723362 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL23340415 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL18880908 0.81 CYP1A2 (0.55) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL24787587 0.81 CYP1A2 (0.55) ALDH1A1KDM4EGAAHSD17B10HIF1A

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-10991517-B2 Molecular photon upconversion using organic-inorganic hybrid interfaces The Florida State University Research Foundation, Inc. (US) 2021-04-27 US disclosed
US-20170236653-A1 MOLECULAR PHOTON UPCONVERSION USING ORGANIC-INORGANIC HYBRID INTERFACES The Florida State University Research Foundation, Inc. 2017-08-17 US disclosed