SCHEMBL19687577

SCHEMBL19687577

Cc1ccc2c(cc(C#N)n2CCc2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH1 P35367 2/20 0.40
HTR6 P50406 2/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL19687591 0.78 MEN1 (0.43) MEN1KMT2AKDM4EMAPTTSHR
SCHEMBL19687594 0.76 ESR1 (0.40) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL19687586 0.74 MEN1 (0.46) MEN1KMT2AKDM4EMAPTTSHR
SCHEMBL20259682 0.74 HRH1 (0.38) MEN1KMT2AKDM4EMAPTTSHR
SCHEMBL19687576 0.74 RAB9A (0.35) MEN1KMT2ATSHRRAB9A
SCHEMBL19687598 0.74 RAB9A (0.35) KDM4EMAPTTSHRRAB9A
SCHEMBL19687583 0.72 MEN1 (0.43) MEN1KMT2AKDM4EMAPTTSHR
SCHEMBL19687584 0.72 PARG (0.39) MEN1KMT2ARAB9A
SCHEMBL19687579 0.70 RAB9A (0.33) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL19687573 0.70 MEN1 (0.37) MEN1KMT2ARAB9ABRD4CNR1

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