SCHEMBL22295779

SCHEMBL22295779

C/C(=C\C=C(/C)N(C)C)c1ccc(/C=C(\C#N)C(=O)NCCOCCCCCCCCCCl)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.36
LMNA P02545 9/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 6/20 0.36
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36
MITF O75030 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 3/20 0.36
HPGD P15428 1/20 0.36
MDM2 Q00987 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL22295757 0.79 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL22313635 0.77 MAPT (0.42) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL22295804 0.76 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL22314048 0.74 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL22313622 0.73 ALDH1A1 (0.38) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL22295765 0.73 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL22313954 0.72 ALDH1A1 (0.37) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL22295739 0.71 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL22313919 0.70 ALDH1A1 (0.36) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL22295768 0.70 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMEN1POLB

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-3690002-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF East China University of Science and Technology (CN) 2020-08-05 EP disclosed