SCHEMBL5263403

SCHEMBL5263403

COc1nc(OC)nc(N2CCC(c3nc(C(=O)N4CCC(n5cnc6ccccc65)CC4)cs3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.48
USP2 O75604 2/20 0.43
PKM P14618 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.40
TRPC3 Q13507 1/20 0.40
TRPC6 Q9Y210 1/20 0.40
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
MGLL Q99685 1/20 0.38
UBE2M P61081 3/20 0.37
DCUN1D1 Q96GG9 3/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL5316067 0.76 TRPC3 (0.40) USP2ALDH1A1TRPC3TRPC6UBE2M
SCHEMBL2186770 0.76 ALDH1A1 (0.44) KMT2AALDH1A1TRPC3TRPC6MEN1
SCHEMBL5262890 0.75 HTR1A (0.42) USP2ALDH1A1TRPC3TRPC6DRD2
SCHEMBL27709468 0.74 POLB (0.43) USP2KMT2AALDH1A1MEN1HPGD
SCHEMBL2187222 0.74 TRPC3 (0.38) USP2KMT2AALDH1A1TRPC3TRPC6
SCHEMBL2188215 0.74 HCRTR1 (0.45) ALDH1A1TRPC3TRPC6MGLLUBE2M
SCHEMBL3060474 0.74 POLB (0.42) USP2KMT2AALDH1A1MEN1GAA
SCHEMBL2187194 0.73 TSHR (0.49) KMT2AALDH1A1MEN1GAA
SCHEMBL2187029 0.72 L3MBTL1 (0.46) PKMKMT2AALDH1A1TRPC3TRPC6
SCHEMBL2186868 0.71 TDP1 (0.39) KMT2AALDH1A1TRPC3TRPC6MEN1

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