SCHEMBL8991251

SCHEMBL8991251

Cc1ccc(Cn2c(N)c(C(N)=[Se])c3c(N)ncnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ RPS6KA3 P51812 5/20 0.41
▸ FYN P06241 4/20 0.41
▸ VCP P55072 2/20 0.41
▸ SRC P12931 2/20 0.40
▸ YES1 P07947 2/20 0.40
▸ RPS6KB1 P23443 2/20 0.40
▸ EPHA2 P29317 2/20 0.40
▸ RIPK2 O43353 2/20 0.40
▸ RET P07949 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ PLK4 O00444 1/20 0.40

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
SCHEMBL8991371 0.88 MAPK1 (0.44) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991048 0.88 KDM4E (0.57) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991267 0.87 KDM4E (0.48) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991286 0.87 GAA (0.41) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991144 0.86 KDM4E (0.48) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991123 0.81 KDM4E (0.44) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL7701563 0.79 KDM4E (0.47) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991261 0.78 KDM4E (0.49) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991414 0.78 KDM4E (0.57) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991169 0.77 MAPK1 (0.45) KDM4EMAPK1HTTTSHRHSD17B10

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-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 — — US disclosed
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