SCHEMBL9833459

SCHEMBL9833459

Nc1c(O)ccc2cc3c(N)c(O)ccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NT5E P21589 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
HSD17B10 Q99714 4/20 0.36
GAA P10253 2/20 0.36
LCK P06239 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 2/20 0.36
HPGD P15428 2/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.36
IDO1 P14902 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36

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
SCHEMBL11750928 0.89 ALDH1A1 (0.45) PLAUCTDSP1HSD17B10GAAALDH1A1
SCHEMBL9009109 0.86 ALDH1A1 (0.40) PLAUCTDSP1HSD17B10GAAALDH1A1
SCHEMBL9009085 0.86 ALDH1A1 (0.40) PLAUCTDSP1HSD17B10GAAALDH1A1
SCHEMBL9572324 0.81 PLAU (0.59) PLAUCTDSP1NT5EHSD17B10GAA
SCHEMBL24150455 0.80 ALOX15 (0.46) PLAUCTDSP1ALDH1A1ALOX15HPGD
SCHEMBL19059655 0.80 HSD17B10 (0.54) CTDSP1HSD17B10GAAGFERALDH1A1
SCHEMBL13008672 0.78 GAA (0.37) PLAUCTDSP1NT5EHSD17B10GAA
SCHEMBL6854234 0.77 IDO1 (0.42) PLAUNT5EHSD17B10GAAGFER
Naphthoquinone SCHEMBL28157613 0.76 NQO1 (0.45) PLAUHSD17B10GAAALDH1A1ALOX15
SCHEMBL144625 0.75 PTPN22 (0.60) CTDSP1HSD17B10GAAALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011753-A Polyamides Containing Hexafluoroisopropylidene Groups Which May Be Cured To Form Polybenzoxazoles HOECHST CELANESE CORPORATION (US) 1991-04-30 US disclosed
US-4939215-A CHEMICAL AND RADIATION RESISTANCE; AIRCRAFT, ELECTRONICS HOECHST CELANESE CORPORATION (US) 1990-07-03 US disclosed
US-4845183-A MOLDING MATERIALS; FOR DIELECTRICS OR COATING SOLUTIONS; TOUGHNESS, FLEXIBILITY, TRANSPARENT HOECHST CELANESE CORPORATION (US) 1989-07-04 US disclosed
EP-0317942-A2 Heat resistant polyamides and polybenzoxazoles from bis-[(aminohydroxyphenyl hexafluoro-isopropyl] diphenyl ethers HOECHST CELANESE CORPORATION (US) 1989-05-31 EP disclosed