SCHEMBL8762012

SCHEMBL8762012

Cc1c(OCc2ccccc2)ccc(Br)c1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK14 Q16539 3/20 0.47
RAB9A P51151 2/20 0.46
LIPE Q05469 1/20 0.45
PTGER1 P34995 1/20 0.44
FOLH1 Q04609 1/20 0.44
HTR6 P50406 1/20 0.43
CCR5 P51681 1/20 0.43
BRD4 O60885 1/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL9340084 0.88 MAPT (0.65) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL31725934 0.88 MAPT (0.65) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL16336364 0.86 MAPT (0.62) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL31558251 0.86 MAPT (0.62) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL28918460 0.84 MAPK14 (0.50) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL27930584 0.83 L3MBTL1 (0.59) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL9007487 0.83 MAPT (0.80) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL27703867 0.81 L3MBTL1 (0.63) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL19086324 0.81 TDP1 (0.76) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL20139372 0.80 TDP1 (0.54) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698580-A TREATING DISEASES CAUSED BY RESPIRATORY SYNCYTIAL VIRUS RATIONAL DRUG DESIGN LABORATORIES (JP) 1997-12-16 US disclosed
EP-0770609-A1 ANTIVIRAL AGENT CONTAINING BENZODITHIIN DERIVATIVE AS ACTIVE INGREDIENT Rational Drug Design Laboratories (JP) 1997-05-02 EP disclosed