SCHEMBL27369622

SCHEMBL27369622

O=C(S)c1cccc(N2CCCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
HPGD P15428 4/20 0.70
HSD17B10 Q99714 2/20 0.70
GAA P10253 2/20 0.70
KDM4E B2RXH2 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
KMO O15229 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
MAPT P10636 6/20 0.49
TSHR P16473 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
ALOX15 P16050 2/20 0.49
STAT1 P42224 1/20 0.49
PKM P14618 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
SCHEMBL29630979 0.84 ALDH1A1 (0.96) ALDH1A1HPGDHSD17B10GAAKDM4E
SCHEMBL1397690 0.84 GAA (0.72) ALDH1A1HPGDHSD17B10GAAKDM4E
SCHEMBL30290422 0.84 GAA (0.72) ALDH1A1HPGDHSD17B10GAAKDM4E
SCHEMBL1517128 0.84 ALDH1A1 (0.96) ALDH1A1HPGDHSD17B10GAAKDM4E
SCHEMBL3105857 0.84 ALDH1A1 (0.96) ALDH1A1HPGDHSD17B10GAAKDM4E
SCHEMBL8349198 0.83 ALDH1A1 (0.70) ALDH1A1HPGDHSD17B10GAAKDM4E
Hydrochloric Acid SCHEMBL4630423 0.83 GAA (0.70) ALDH1A1HPGDHSD17B10GAAKDM4E
SCHEMBL27767932 0.83 ALDH1A1 (0.70) ALDH1A1HPGDHSD17B10GAAKDM4E
SCHEMBL1517203 0.82 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10GAAKDM4E
SCHEMBL29717077 0.82 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10GAAKDM4E

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-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed