SCHEMBL19687586

SCHEMBL19687586

Cc1ccc2c(cc(C#N)n2CCN2CCOCC2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
CREBBP Q92793 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HPGD P15428 2/20 0.42
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 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
SCHEMBL19687594 0.90 ESR1 (0.40) MEN1MAPTLMNAKMT2A
SCHEMBL19687591 0.76 MEN1 (0.43) MEN1MAPTTSHRKMT2AKDM4E
SCHEMBL19687577 0.74 MEN1 (0.46) MEN1MAPTTSHRKMT2AHSD17B10
SCHEMBL19687581 0.73 KDM4E (0.44) MEN1TSHRLMNAKMT2AHSD17B10
SCHEMBL19687584 0.72 PARG (0.39) MEN1KMT2A
SCHEMBL19687574 0.72 PARG (0.40) MAPT
SCHEMBL19687576 0.72 RAB9A (0.35) MEN1TSHRLMNAKMT2A
SCHEMBL19687579 0.71 RAB9A (0.33) MEN1MAPTKMT2AHSD17B10KDM4E
SCHEMBL19687583 0.70 MEN1 (0.43) MEN1MAPTTSHRLMNAKMT2A
SCHEMBL19687588 0.69 PARG (0.40)

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