SCHEMBL19687598

SCHEMBL19687598

Cc1ccc2c(cc(C#N)n2CC(F)F)c1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
TGFBR1 P36897 2/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL19687576 0.80 RAB9A (0.35) RAB9ALMNATSHR
SCHEMBL19687591 0.76 MEN1 (0.43) RAB9AMAPTTSHRKDM4E
SCHEMBL19687583 0.75 MEN1 (0.43) RAB9ALMNAMAPTTSHRKDM4E
SCHEMBL19687618 0.75 RAB9A (0.32) RAB9AKDM4E
SCHEMBL19687594 0.74 ESR1 (0.40) RAB9ALMNAMAPT
SCHEMBL19687577 0.74 MEN1 (0.46) RAB9AMAPTTSHRKDM4E
SCHEMBL19687579 0.73 RAB9A (0.33) RAB9AMAPTKDM4E
SCHEMBL19687586 0.72 MEN1 (0.46) LMNAMAPTTSHRHTTKDM4E
SCHEMBL19687584 0.72 PARG (0.39) RAB9A
SCHEMBL19687574 0.72 PARG (0.40) MAPT

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