SCHEMBL9569140

SCHEMBL9569140

CN1CC(=O)C1c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
POLB P06746 2/20 0.40
GAA P10253 5/20 0.39
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL2656962 0.69 MAPT (0.55) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL27262809 0.69 PRCP (0.44) ALDH1A1KMT2AKDM4EHPGDTSHR
SCHEMBL3438533 0.66 MAPT (0.50) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL8542688 0.66 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1KDM4EHPGD
Iodide SCHEMBL27302384 0.65 PRCP (0.59) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL2606076 0.64 CHRNB2 (0.53) POLB
SCHEMBL10079150 0.64 SLC6A2 (0.49) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL7678904 0.64 HSD17B10 (0.42) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL27551235 0.64 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL27706007 0.63 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564129-A2 Process for the preparation of 3-substituted-2-azetidinones UNIVERSITY OF NOTRE DAME (US) 1993-10-06 EP disclosed
US-5250676-A Process for the preparation of 3-substituted-2-azetidinones UNIVERSITY OF NOTRE DAME DU LAC (US) 1993-10-05 US disclosed