SCHEMBL20138617

SCHEMBL20138617

CCOC(OCC)OC(=O)c1cscn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAP3K5 Q99683 1/20 0.38
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
CTSK P43235 1/20 0.31
THRB P10828 1/20 0.30
TNF P01375 1/20 0.30
PDE4D Q08499 1/20 0.30
CYP1A2 P05177 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29484249 0.78 KDM4E (0.50) KDM4EMAP3K5ALDH1A1MAPTHPGD
SCHEMBL243257 0.78 MAPT (0.50) KDM4EMAP3K5ALDH1A1MEN1KMT2A
SCHEMBL9381825 0.77 KDM4E (0.42) KDM4EMAP3K5ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27665004 0.77 MAPT (0.53) KDM4EMAP3K5ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL30101396 0.77 MAPT (0.53) KDM4EMAP3K5ALDH1A1MEN1KMT2A
Acetic Acid SCHEMBL27461332 0.74 KDM4E (0.50) KDM4EMAP3K5ALDH1A1MEN1KMT2A
Tert-Butylamine SCHEMBL27906908 0.73 ALDH1A1 (0.49) KDM4EMAP3K5ALDH1A1MEN1KMT2A
SCHEMBL269086 0.72
Hydrochloric Acid SCHEMBL28264043 0.72 KDM4E (0.43) KDM4EMAP3K5ALDH1A1MEN1KMT2A
SCHEMBL27709527 0.72 KDM4E (0.43) KDM4EMAP3K5

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-3538080-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co. Ltd. (CN) 2019-09-18 EP disclosed
WO-2018086139-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-05-17 WO disclosed