SCHEMBL11706351

SCHEMBL11706351

BrCc1cc2cc3ccccc3cc2o1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
AGXT P21549 1/20 0.42
HTR2B P41595 5/20 0.36
HTR1A P08908 4/20 0.36
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 3/20 0.33
ADRA2A P08913 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PTPN1 P18031 1/20 0.32
PIN1 Q13526 1/20 0.31

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
SCHEMBL119196 0.83 LOXL2 (0.64) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL28087518 0.80 LOXL2 (0.46) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL6001322 0.79 LOXL2 (0.42) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL6001333 0.77 LOXL2 (0.43) LOXL2AGXTHTR2BHTR1AESR1
SCHEMBL3677391 0.76 LOXL2 (0.42) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL7947099 0.74 KDM4E (0.54) SMN1; SMN2L3MBTL1PTPN1
SCHEMBL13561867 0.74 PIM1 (0.38) LOXL2L3MBTL1
SCHEMBL10411287 0.73 ESR1 (0.43) LOXL2AGXTSMN1; SMN2ESR1ESR2
SCHEMBL14232574 0.72 CYP2A6 (0.39) LOXL2SMN1; SMN2
SCHEMBL11712601 0.72 MAOB (0.41) LOXL2AGXTCYP19A1

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
US-4002423-A Benzofuran derivatives process for their preparation and their use as optical brighteners HOECHST AKTIENGESELLSCHAFT (DT) 1977-01-11 US disclosed