SCHEMBL8991019

SCHEMBL8991019

Cc1ccc(Cn2cc(C(N)=[Se])c3c(N)ncnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
SRC P12931 2/20 0.40
RET P07949 6/20 0.39
RIPK2 O43353 2/20 0.38
MAPT P10636 1/20 0.38
ADORA2A P29274 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
RPS6KA3 P51812 3/20 0.38
FYN P06241 3/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL7695931 0.88 ADK (0.46) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL7698503 0.88 HTT (0.43) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991292 0.88 ADORA2A (0.51) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991089 0.87 EGFR (0.45) SRCRIPK2PI4KAPI4K2BPI4K2A
SCHEMBL8991269 0.87 PI4KA (0.39) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991101 0.86 RIPK2 (0.42) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991063 0.85 GAA (0.41) TP53SRCMAPTLMNAALDH1A1
SCHEMBL8991245 0.81 SRC (0.40) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL7698505 0.78 FYN (0.39) KDM4EMAPK1HTTTSHRHSD17B10
SCHEMBL8991031 0.78 KDM4E (0.41) 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