SCHEMBL19687718

SCHEMBL19687718

OCCc1cc2c(Cl)ncnc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 3/20 0.66
VCAM1 P19320 3/20 0.66
KDM4E B2RXH2 4/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTT P42858 3/20 0.37
ICAM1 P05362 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
LMNA P02545 1/20 0.35

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) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL19687717 0.80 SELE (0.65) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL4388091 0.79 SELE (0.70) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL3799246 0.79 SELE (1.00) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL16031220 0.75 SELE (0.64) SELEVCAM1MEN1KMT2A
SCHEMBL29737503 0.75 SELE (0.64) SELEVCAM1MEN1KMT2A
SCHEMBL1604838 0.75 SELE (0.69) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL22042459 0.74 SELE (0.62) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL19838140 0.73 SELE (0.65) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL15111462 0.72 SELE (0.50) SELEVCAM1KDM4ETSHRCYP1A2

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