SCHEMBL8991091

SCHEMBL8991091

COc1ccc(Cn2cc([Se]C(N)=O)c3c(N)ncnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RIPK2 O43353 6/20 0.41
SRC P12931 5/20 0.41
ABL1 P00519 3/20 0.41
ABL2 P42684 3/20 0.41
PDE8B O95263 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
KDR P35968 1/20 0.40
NSD3 Q9BZ95 1/20 0.39

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
SCHEMBL8991031 0.88 KDM4E (0.41) EGFRRIPK2SRCABL1HPGD
SCHEMBL8991143 0.87 HDAC1 (0.46) HDAC1HDAC6ABL1NPC1RAB9A
SCHEMBL8991302 0.87 ADORA2A (0.49) EGFRSRCABL1ABL2KDR
SCHEMBL8991275 0.85 FLT3 (0.43) SRCABL1
SCHEMBL7701895 0.84 EGFR (0.45) EGFRRIPK2SRCABL1ABL2
SCHEMBL7705468 0.81 EGFR (0.43) EGFRHDAC1HDAC6RIPK2SRC
SCHEMBL8991105 0.81 EIF2AK3 (0.42) RIPK2SRCABL1KDR
SCHEMBL7705467 0.79 EGFR (0.45) EGFRRIPK2SRCABL1ABL2
SCHEMBL8991089 0.79 EGFR (0.45) EGFRRIPK2SRCABL1ABL2
SCHEMBL8991284 0.79 KDM4E (0.44) EGFRSRCABL1ABL2PDE8B

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