SCHEMBL19687591

SCHEMBL19687591

Cc1ccc2c(cc(C#N)n2CCCO)c1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
KDM1A O60341 10/20 0.42
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.33
SCARB1 Q8WTV0 1/20 0.32

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
SCHEMBL19687593 0.81 POLB (0.41) KDM4ERAB9ASCARB1
SCHEMBL19687577 0.78 MEN1 (0.46) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL19687594 0.78 ESR1 (0.40) MEN1KMT2AMAPTESR1ESR2
SCHEMBL19687578 0.78 KDM1A (0.39) MEN1KMT2AMAPTKDM4EKDM1A
SCHEMBL19687583 0.77 MEN1 (0.43) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL19687586 0.76 MEN1 (0.46) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL19687576 0.76 RAB9A (0.35) MEN1KMT2ARAB9ATSHR
SCHEMBL19687598 0.76 RAB9A (0.35) MAPTKDM4ERAB9ATSHR
SCHEMBL19295052 0.76 MEN1 (0.39) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL17596607 0.75 GAA (0.37) MEN1KMT2AMAPTKDM4EESR1

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