SCHEMBL19687579

SCHEMBL19687579

Cc1ccc2c(cc(C#N)n2CC2CNC2)c1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
MEN1 O00255 6/20 0.33
PGR P06401 1/20 0.32
PARG Q86W56 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM1A O60341 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL30406126 0.75 MEN1 (0.33) MEN1PGR
SCHEMBL19687576 0.73 RAB9A (0.35) RAB9AMEN1PGRKMT2A
SCHEMBL19687598 0.73 RAB9A (0.35) RAB9AKDM4EMAPT
SCHEMBL19687594 0.73 ESR1 (0.40) RAB9AMEN1MAPTKMT2A
SCHEMBL19687591 0.72 MEN1 (0.43) RAB9AMEN1KDM4EMAPTKDM1A
SCHEMBL19687573 0.72 MEN1 (0.37) RAB9AMEN1PARGKMT2A
SCHEMBL19687583 0.71 MEN1 (0.43) RAB9AMEN1KDM4EALDH1A1MAPT
SCHEMBL30406467 0.71 SYK (0.37) MEN1PGR
SCHEMBL19687586 0.71 MEN1 (0.46) MEN1KDM4EALDH1A1MAPTHPGD
SCHEMBL19687574 0.71 PARG (0.40) PARGMAPT

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