SCHEMBL30780972

SCHEMBL30780972

O=[N+]([O-])c1ccc(Cl)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.67
ALDH1A1 P00352 7/20 0.57
HIF1A Q16665 1/20 0.57
VCAM1 P19320 1/20 0.55
RORC P51449 1/20 0.50
KMT2A Q03164 5/20 0.49
PDE7A Q13946 3/20 0.49
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE7B Q9NP56 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2590213 1.00 HSD17B10 (0.67) HSD17B10ALDH1A1HIF1AVCAM1RORC
Fluoride SCHEMBL29135029 0.98 HSD17B10 (0.64) HSD17B10ALDH1A1HIF1AVCAM1RORC
SCHEMBL29535654 0.83 HSD17B10 (0.67) HSD17B10ALDH1A1HIF1AVCAM1RORC
SCHEMBL169304 0.83 HSD17B10 (0.67) HSD17B10ALDH1A1HIF1AVCAM1RORC
SCHEMBL19654571 0.83 HSD17B10 (0.67) HSD17B10ALDH1A1HIF1AVCAM1RORC
Ammonia Solution, Strong SCHEMBL28217171 0.82 HSD17B10 (0.64) HSD17B10ALDH1A1HIF1AVCAM1RORC
SCHEMBL21835328 0.81 HSPB1 (0.62) HSD17B10ALDH1A1KMT2APDE7AMEN1
SCHEMBL85918 0.80 HSD17B10 (1.00) HSD17B10ALDH1A1VCAM1KMT2APDE7A
SCHEMBL29360183 0.80 HSD17B10 (1.00) HSD17B10ALDH1A1VCAM1KMT2APDE7A
SCHEMBL85604 0.80 ALDH1A1 (0.69) HSD17B10ALDH1A1HIF1AKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed