SCHEMBL22295804

SCHEMBL22295804

CN(C)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NCCCCCOCCCCCCCl)s2)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
DNM1 Q05193 8/20 0.39
EGFR P00533 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
MAPK1 P28482 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
SCHEMBL22295757 0.96 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTPKMNPSR1
SCHEMBL22313920 0.86 MAPT (0.32) ALDH1A1MAPTNPSR1LMNAKMT2A
SCHEMBL22313661 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTPKMNPSR1
SCHEMBL22313635 0.83 MAPT (0.42) ALDH1A1KDM4EMAPTPKMNPSR1
SCHEMBL22313938 0.82 POLB (0.39) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL22314048 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTPKMNPSR1
SCHEMBL22313954 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTPKMNPSR1
SCHEMBL22295779 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTPKMNPSR1
SCHEMBL22295765 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL21160634 0.72 MAPT (0.58) ALDH1A1KDM4EMAPTKMT2AEGFR

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