SCHEMBL19508587

SCHEMBL19508587

CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(N(C)C)c(Cl)c2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.54
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 4/20 0.50
CYP2C9 P11712 2/20 0.49
HSD11B1 P28845 3/20 0.44
CYP2D6 P10635 2/20 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
NFE2L2 Q16236 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL6499764 0.89 ITGB2 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6499766 0.89 ITGB2 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13879637 0.82 NPC1 (0.54) ALDH1A1NPC1SMN1; SMN2HTTPYGL
SCHEMBL13879635 0.82 ALDH1A1 (0.56) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19508588 0.80 HSD17B3 (0.54) HSD17B3ALDH1A1MAPTNPC1RAB9A
SCHEMBL13879640 0.80 PYGL (0.62) ALDH1A1PYGLHPGDAPP
SCHEMBL13879634 0.80 RAB9A (0.73) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11703099 0.77 CYP1A2 (0.55) HSD17B3ALDH1A1MAPTNPC1RAB9A
SCHEMBL11703094 0.77 CYP1A2 (0.55) HSD17B3ALDH1A1MAPTNPC1RAB9A
SCHEMBL6529891 0.77 ALDH1A3 (0.62) ALDH1A1RAB9ATYRPTGS2

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