SCHEMBL24865378

SCHEMBL24865378

Cn1c(=O)n(C)c2cc(Nc3ccc4c(c3)OCCO4)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.57
PKM P14618 4/20 0.57
HTT P42858 4/20 0.57
TAS2R14 Q9NYV8 3/20 0.57
TSHR P16473 2/20 0.57
TP53 P04637 2/20 0.57
HPGD P15428 2/20 0.57
MAPT P10636 2/20 0.57
NR0B1 P51843 1/20 0.57
TRIM24 O15164 2/20 0.52
BRD1 O95696 1/20 0.52
BRPF1 P55201 1/20 0.52
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48

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
SCHEMBL30336350 1.00 SMN1; SMN2 (0.57) SMN1; SMN2PKMHTTTAS2R14TSHR
SCHEMBL24865750 0.83 HTT (0.46) SMN1; SMN2PKMHTTTAS2R14TSHR
SCHEMBL30336849 0.83 HTT (0.46) SMN1; SMN2PKMHTTTAS2R14TSHR
SCHEMBL24777901 0.78 ADRA2A (0.61) SMN1; SMN2HTTTSHRMAPTALDH1A1
SCHEMBL24865481 0.75 TRIM24 (0.61) SMN1; SMN2PKMHTTTP53MAPT
SCHEMBL1279478 0.73 PKM (1.00) SMN1; SMN2PKMHTTTAS2R14TSHR
SCHEMBL24865728 0.72 KDM4E (0.54) SMN1; SMN2PKMHTTTP53HPGD
SCHEMBL1616042 0.72 TAS2R14 (1.00) SMN1; SMN2PKMHTTTAS2R14TSHR
SCHEMBL16923325 0.72 RHOA (0.46) SMN1; SMN2PKMHTTTSHRMAPT
SCHEMBL24865206 0.72 SMN1; SMN2 (0.53) SMN1; SMN2PKMHTTTP53HPGD

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-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed