SCHEMBL5316067

SCHEMBL5316067

COc1nc(OC)nc(N2CCC(c3nc(C(=O)N4CCC(c5nnc6ccccn56)CC4)cs3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.40
TRPC6 Q9Y210 3/20 0.40
ALDH1A1 P00352 3/20 0.37
USP2 O75604 2/20 0.37
HSD11B1 P28845 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
UBE2M P61081 3/20 0.34
DCUN1D1 Q96GG9 3/20 0.34
RBP4 P02753 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
FAAH O00519 1/20 0.34
SPR P35270 1/20 0.34
PPARG P37231 1/20 0.34
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL5262083 0.77 SCD5 (0.34) TRPC3TRPC6ALDH1A1RBP4TSHR
SCHEMBL5263403 0.76 FPR2 (0.48) TRPC3TRPC6ALDH1A1USP2UBE2M
SCHEMBL2186770 0.76 ALDH1A1 (0.44) TRPC3TRPC6ALDH1A1
SCHEMBL5262890 0.76 HTR1A (0.42) TRPC3TRPC6ALDH1A1USP2
SCHEMBL27709468 0.75 POLB (0.43) ALDH1A1USP2TDP1RBP4POLB
SCHEMBL2187222 0.75 TRPC3 (0.38) TRPC3TRPC6ALDH1A1USP2TDP1
SCHEMBL2188215 0.75 HCRTR1 (0.45) TRPC3TRPC6ALDH1A1HSD11B1UBE2M
SCHEMBL3060474 0.74 POLB (0.42) ALDH1A1USP2TDP1TSHRPOLB
SCHEMBL2187194 0.73 TSHR (0.49) ALDH1A1TSHRPOLBMAPTHTT
SCHEMBL2187029 0.73 L3MBTL1 (0.46) TRPC3TRPC6ALDH1A1TDP1TSHR

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
EP-1834954-A1 Thiazoles as NF-kB Inhibitors (proteasome inhibitors) 4SC AG (DE) 2007-09-19 EP disclosed