SCHEMBL24323271

SCHEMBL24323271

C=C(CC)C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
TXNRD1 Q16881 2/20 0.52
RIPK1 Q13546 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
PLIN1 O60240 1/20 0.49
LMNA P02545 1/20 0.49
PLIN5 Q00G26 1/20 0.49
ABHD5 Q8WTS1 1/20 0.49
CYP2C19 P33261 2/20 0.49
EPHX2 P34913 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL20380006 0.86 L3MBTL1 (0.58) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL5698188 0.84 TXNRD1 (0.54) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL5175379 0.84 TXNRD1 (0.54) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL24324494 0.83 HTT (0.58) ALDH1A1MAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL9403358 0.82 GAA (0.58) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL24584925 0.82 TXNRD1 (0.52) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL553682 0.82 TXNRD1 (0.56) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL1269639 0.82 CYP1A2 (0.56) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL24276173 0.81 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL183463 0.81 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTL3MBTL1

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-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 EP disclosed