SCHEMBL19508588

SCHEMBL19508588

CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(N(C)C)c(Br)c2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.54
PRMT1 Q99873 1/20 0.54
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LY96 Q9Y6Y9 2/20 0.46
HSD11B1 P28845 3/20 0.44
CYP1A2 P05177 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 2/20 0.44
HTT P42858 1/20 0.44
ALOX5 P09917 1/20 0.44
NFKB1 P19838 1/20 0.44
STAT3 P40763 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL19474896 0.89 IAPP (0.51) HSD17B3PRMT1ALDH1A1MAPTL3MBTL1
SCHEMBL19508587 0.80 HSD17B3 (0.54) HSD17B3ALDH1A1MAPTL3MBTL1HSD11B1
SCHEMBL16921264 0.78 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1KDM4ENPC1
SCHEMBL456999 0.77 ALDH1A3 (0.66) ALDH1A1MAPTL3MBTL1KDM4ELMNA
SCHEMBL19508539 0.76 CTSL (0.68) ALDH1A1CYP1A2LMNASMN1; SMN2CYP2D6
SCHEMBL16093484 0.73 APP (0.58) HSD17B3ALDH1A1MAPTKDM4ELMNA
SCHEMBL21294107 0.73 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1KDM4ELMNA
SCHEMBL11139551 0.71 HSD17B3 (0.83) HSD17B3ALDH1A1MAPTL3MBTL1HSD11B1
SCHEMBL11139554 0.71 HSD17B3 (0.83) HSD17B3ALDH1A1MAPTL3MBTL1HSD11B1
SCHEMBL11142691 0.71 HSD17B3 (0.71) HSD17B3ALDH1A1MAPTL3MBTL1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445348-B1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIV AVEIRO (PT) 2023-06-07 EP claimed
EP-3445348-B1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIV AVEIRO (PT) 2023-06-07 EP disclosed
EP-3445348-B1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIV AVEIRO (PT) 2023-06-07 EP disclosed
WO-2017182945-A1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIVERSIDADE DE AVEIRO (PT) 2017-10-26 WO disclosed