SCHEMBL17467141

SCHEMBL17467141

COc1nc(Br)ccc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.33
CCR4 P51679 1/20 0.32
EDNRA P25101 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL15545513 0.83 POLB (0.40) POLBTDP1L3MBTL1CCR4EDNRA
SCHEMBL17467165 0.81 POLB (0.35) POLBTDP1L3MBTL1CCR4EDNRA
SCHEMBL17467171 0.78 L3MBTL1 (0.36) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL17467163 0.77 PAX8 (0.38) POLBTDP1EDNRA
SCHEMBL2006064 0.76 SLC13A5 (0.41) POLBTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL5655847 0.73 PTGDR2 (0.38) POLBTDP1L3MBTL1MEN1KMT2A
SCHEMBL69183 0.71 CLK1 (0.36) POLBTDP1L3MBTL1MEN1KMT2A
SCHEMBL23878604 0.71 LMNA (0.31) KMT2A
SCHEMBL21468504 0.71 MEP1B (0.33) MEN1KMT2A
SCHEMBL18538068 0.71 POLB (0.33) POLBTDP1ALDH1A1

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
US-9249160-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed