SCHEMBL19687717

SCHEMBL19687717

COCCc1cc2c(Cl)ncnc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 6/20 0.65
VCAM1 P19320 6/20 0.65
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ENPP1 P22413 2/20 0.37
KDM4E B2RXH2 4/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ICAM1 P05362 5/20 0.35
HTT P42858 3/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL809708 0.83 SELE (0.76) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL19687718 0.80 SELE (0.66) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL3799246 0.79 SELE (1.00) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL4388091 0.76 SELE (0.70) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL1604838 0.75 SELE (0.69) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL19838140 0.73 SELE (0.65) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL16031220 0.72 SELE (0.64) SELEVCAM1MEN1KMT2A
SCHEMBL29737503 0.72 SELE (0.64) SELEVCAM1MEN1KMT2A
SCHEMBL15111462 0.71 SELE (0.50) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL22042459 0.71 SELE (0.62) SELEVCAM1HDAC3HDAC1HDAC6

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
WO-2017205972-A1 SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER GENOMEDX BIOSCIENCES, INC. (CA) 2017-12-07 WO disclosed