SCHEMBL20123248

SCHEMBL20123248

COc1c(Br)c(CBr)c(C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 4/20 0.37
CA4 P22748 4/20 0.37
CA1 P00915 3/20 0.37
CA6 P23280 3/20 0.37
POLB P06746 2/20 0.35
SLC2A1 P11166 1/20 0.33
PLK1 P53350 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33

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
SCHEMBL3677552 0.87 KDM4E (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL20123253 0.85 CA2 (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL9736640 0.80 KDM4E (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL1507161 0.77 KDM4E (0.58) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL29850315 0.77 KDM4E (0.70) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL21906404 0.77 KDM4E (0.70) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL13079429 0.75 KDM4E (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL3739184 0.75 CA2 (0.55) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL20680057 0.73 KDM4E (0.64) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL30660758 0.72 KDM4E (0.79) KDM4EALDH1A1MAPK1SMN1; SMN2CA2

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
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed