SCHEMBL21037324

SCHEMBL21037324

CC(=O)OCCN(CCO)c1ccc2cc(/C=C(\C#N)C(=O)OC(C)(C)C)sc2c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RPS6KA3 P51812 1/20 0.33
SLC16A3 O15427 2/20 0.32
SLC16A1 P53985 2/20 0.32
DNM1 Q05193 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL21037326 0.93 RPS6KA3 (0.36) ALDH1A1MEN1KMT2ARPS6KA3SLC16A3
SCHEMBL21160428 0.89 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ARPS6KA3SLC16A3
SCHEMBL21160458 0.89 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ARPS6KA3SLC16A3
SCHEMBL21037280 0.85 APP (0.38) ALDH1A1MEN1KMT2ARPS6KA3LMNA
SCHEMBL22295711 0.82 RPS6KA3 (0.31) RPS6KA3
SCHEMBL22313597 0.82 RPS6KA3 (0.31) RPS6KA3
SCHEMBL21234685 0.81 APP (0.43) ALDH1A1MEN1KMT2ARPS6KA3LMNA
SCHEMBL21160423 0.77 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ARPS6KA3SLC16A3
SCHEMBL21037880 0.76 MEN1 (0.34) ALDH1A1MEN1KMT2ARPS6KA3
SCHEMBL21037003 0.73 MEN1 (0.50) ALDH1A1MEN1KMT2ALMNAMAPT

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-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 EP disclosed