SCHEMBL19255679

SCHEMBL19255679

CCCOC(=O)CCCc1nccnc1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
TOP2A P11388 2/20 0.39
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
CNR1 P21554 1/20 0.36
MAPK1 P28482 1/20 0.36
DHFR P00374 1/20 0.35
TNF P01375 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
DNM1 Q05193 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL19224674 0.88 CYP1A2 (0.46) DHFRTNF
SCHEMBL19879542 0.79 GABRP (0.35) ALDH1A1MAPTKMT2AKDM4E
SCHEMBL21891949 0.72 DGKA (0.71) DGKAALDH1A1MAPTTHRBCNR1
SCHEMBL20477208 0.70 CYP4F2 (0.48) TOP2AALDH1A1MAPTDHFRKDM4E
SCHEMBL28571987 0.70 NOS2 (0.48) MAPK1DHFRKDM4E
SCHEMBL28521019 0.70 TLR8 (0.41) ALDH1A1MAPTTHRBMAPK1DHFR
SCHEMBL19638 0.70 DGKA (0.67) DGKAALDH1A1MAPTTHRBCNR1
SCHEMBL33810 0.70 DGKA (0.74) DGKAALDH1A1TDP1MAPTMAPK1
SCHEMBL28076490 0.69 TLR7 (0.41) ALDH1A1TDP1GAAKDM4E
SCHEMBL410773 0.68 DGKA (0.78) DGKAALDH1A1MAPTMEN1KMT2A

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-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed