SCHEMBL19687623

SCHEMBL19687623

Cc1ccc2cc(C(N)=O)n(Cc3cn[nH]c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 5/20 0.48
PLA2G10 O15496 2/20 0.44
CCR2 P41597 3/20 0.42
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
GPR35 Q9HC97 1/20 0.41
F10 P00742 4/20 0.41
NAMPT P43490 2/20 0.39
MCL1 Q07820 1/20 0.37
TSPO P30536 1/20 0.36

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
SCHEMBL12939210 0.69 CCR9 (0.55) CCR9PLA2G10CCR2NOD2NOD1
SCHEMBL28206476 0.69 CCR2 (0.64) PLA2G10CCR2NOD2NOD1F10
SCHEMBL12930100 0.68 NOD2 (0.65) CCR9NOD2NOD1GPR35F10
SCHEMBL16480591 0.68 PLA2G10 (0.48) CCR9PLA2G10GPR35MCL1
SCHEMBL30490430 0.68 CCR9 (0.70) CCR9CCR2GPR35
SCHEMBL12930101 0.67 NOD2 (0.67) CCR9NOD2NOD1F10
SCHEMBL1573798 0.65 PLA2G10 (0.78) PLA2G10CCR2NOD2NOD1GPR35
SCHEMBL31300585 0.64 PLA2G2A (0.47) PLA2G10CCR2NOD2NOD1F10
SCHEMBL25145010 0.64 CCR2 (0.67) PLA2G10CCR2NOD2NOD1F10
SCHEMBL14693726 0.63 CCR2 (0.77) CCR9CCR2NOD2NOD1GPR35

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