SCHEMBL21457073

SCHEMBL21457073

CCCCN(CCCC)c1ccc2c(CC)c(Br)c(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 7/20 0.55
GLA P06280 6/20 0.55
ATM Q13315 6/20 0.55
HTT P42858 5/20 0.55
CASP1 P29466 5/20 0.55
CASP7 P55210 5/20 0.55
HSD17B10 Q99714 5/20 0.55
L3MBTL1 Q9Y468 5/20 0.55
MAPT P10636 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
TDP1 Q9NUW8 4/20 0.55
CYP3A4 P08684 3/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55

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
SCHEMBL21457051 0.92 ALDH1A1 (0.57) ALDH1A1KDM4EGLAATMHTT
SCHEMBL21456974 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EGLAATMHTT
SCHEMBL21457018 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EGLAATMHTT
SCHEMBL21457095 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EGLAATMHTT
SCHEMBL24862103 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EGLAATMHTT
SCHEMBL21457006 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EGLAATMHTT
SCHEMBL21481666 0.77 SRC (0.43) ALDH1A1KDM4EGLAATMHTT
SCHEMBL21457067 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EGLAATMHTT
SCHEMBL21457083 0.76 IGLV6-57 (0.56) ALDH1A1KDM4EGLAATMCASP1
SCHEMBL21456985 0.75 IGLV6-57 (0.49) ALDH1A1KDM4EGLAATMHTT

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-3553054-B1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF UNIV EVORA (PT) 2023-01-11 EP disclosed
EP-3553054-B1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF UNIV EVORA (PT) 2023-01-11 EP disclosed
EP-3553054-A1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2019-10-16 EP disclosed
EP-3553054-A1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2019-10-16 EP disclosed