SCHEMBL21457065

SCHEMBL21457065

Cc1c(Br)c(=O)oc2cc(N(C)C)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.56
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 9/20 0.51
HTT P42858 6/20 0.51
GLA P06280 4/20 0.51
ATM Q13315 4/20 0.51
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
LMNA P02545 3/20 0.51
CASP1 P29466 3/20 0.51
CASP7 P55210 3/20 0.51
HSD17B10 Q99714 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
S1PR2 O95136 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL10881037 0.87 CCR4 (0.62) CCR4KDM4EALDH1A1HTTGLA
SCHEMBL3838409 0.84 ALDH1A1 (0.51) CCR4KDM4EALDH1A1HTTGLA
SCHEMBL700677 0.84 ALDH1A1 (0.73) KDM4EALDH1A1HTTGLAATM
SCHEMBL21457006 0.81 ALDH1A1 (0.59) KDM4EALDH1A1HTTGLAATM
SCHEMBL21457095 0.81 ALDH1A1 (0.54) CCR4KDM4EALDH1A1HTTGLA
SCHEMBL15116253 0.80 ALDH1A1 (0.50) KDM4EALDH1A1HTTMAPTL3MBTL1
SCHEMBL21456974 0.79 ALDH1A1 (0.56) KDM4EALDH1A1HTTGLAATM
SCHEMBL21457084 0.78 CCR4 (0.53) CCR4KDM4EALDH1A1HTTGLA
SCHEMBL17716551 0.78 SRC (0.57) KDM4EALDH1A1HTTGLAATM
SCHEMBL2553278 0.78 HSD17B3 (0.75) CCR4KDM4EALDH1A1HTTGLA

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