SCHEMBL23628841

SCHEMBL23628841

N#CS[C@H](C=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
TRPA1 O75762 1/20 0.38
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 5/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SRC P12931 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 3/20 0.30
MAPK1 P28482 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C1 Q04828 1/20 0.30
MAP2K1 Q02750 1/20 0.30
DPP4 P27487 2/20 0.30
F2 P00734 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL4068170 1.00 TSHR (0.38) TSHRTRPA1CYP2D6ALDH1A1HTT
SCHEMBL4073531 0.81 LMNA (0.39) ALDH1A1HTTLMNAUSP2HPGD
SCHEMBL6888751 0.80 TSHR (0.38) TSHRTRPA1ALDH1A1HTTL3MBTL1
SCHEMBL23628847 0.77 LMNA (0.36) ALDH1A1HTTLMNAUSP2HPGD
SCHEMBL2494300 0.77 KIF11 (0.37)
SCHEMBL2490903 0.76 ACP3 (0.41) TSHRMAPK1
SCHEMBL28201035 0.72 CYP2D6 (0.39) TSHRCYP2D6ALDH1A1L3MBTL1SRC
Bromide SCHEMBL14157204 0.72 SMN1; SMN2 (0.38) TSHRALDH1A1KMT2ALMNAUSP2
SCHEMBL2936982 0.68 TRPA1 (0.41) TSHRTRPA1CYP2D6ALDH1A1L3MBTL1
SCHEMBL19646056 0.68 TSHR (0.52) TSHRTRPA1CYP2D6ALDH1A1L3MBTL1

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
EP-3846793-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. (US) 2021-07-14 EP disclosed