SCHEMBL8991047

SCHEMBL8991047

CNc1ncnc2c1c(C(N)=[Se])c(N)n2Cc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
HPGD P15428 6/20 0.46
KDM4E B2RXH2 6/20 0.46
GLA P06280 5/20 0.46
GAA P10253 5/20 0.46
HSD17B10 Q99714 5/20 0.46
CASP1 P29466 4/20 0.46
CASP7 P55210 4/20 0.46
NPSR1 Q6W5P4 4/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 3/20 0.39
TP53 P04637 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL8991320 0.90 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL8991267 0.88 KDM4E (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL8991286 0.88 GAA (0.41) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL8991357 0.87 MEN1 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL8991400 0.86 MEN1 (0.36) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL8991066 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL8991328 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL8991130 0.80 MEN1 (0.39) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL8991316 0.80 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL8991138 0.79 ABL1 (0.43) ALDH1A1HPGDHSD17B10NPSR1ABL1

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