SCHEMBL29190820

SCHEMBL29190820

CCCCCCCCCCCCNCCCc1c(C(N)=O)cc(C(N)=O)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
APAF1 O14727 1/20 0.39
RGS12 O14924 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK1 P28482 1/20 0.39
S1PR2 O95136 7/20 0.39
S1PR1 P21453 7/20 0.39
S1PR3 Q99500 7/20 0.39
S1PR4 O95977 6/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 2/20 0.38
OPRK1 P41145 2/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL29253726 1.00 HDAC1 (0.41) HDAC1HDAC2MEN1KMT2AL3MBTL1
SCHEMBL6536717 0.88 MEN1 (0.45) MEN1KMT2AAPAF1RGS12HSP90AA1
SCHEMBL16670906 0.85 MEN1 (0.40) MEN1KMT2AAPAF1RGS12HSP90AA1
SCHEMBL28678902 0.80 THRA (0.41) MEN1KMT2AAPAF1RGS12HSP90AA1
SCHEMBL28686258 0.72 MEN1 (0.40) MEN1KMT2AAPAF1RGS12HSP90AA1
Dipentylamine SCHEMBL28181756 0.72 NAAA (0.58) HDAC1HDAC2MEN1KMT2AL3MBTL1
SCHEMBL28351549 0.72 MEN1 (0.45) MEN1KMT2AAPAF1RGS12HSP90AA1
SCHEMBL6536714 0.71 NAAA (0.61) MEN1KMT2AL3MBTL1ALDH1A1THRA
SCHEMBL10863404 0.71 NAAA (0.61) MEN1KMT2AL3MBTL1ALDH1A1THRA
SCHEMBL6535320 0.70 LMNA (0.55) MEN1KMT2AAPAF1RGS12HSP90AA1

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
CN-117580568-A Multivalent influenza vaccine 赛诺菲 2024-02-20 CN disclosed