SCHEMBL9860869

SCHEMBL9860869

[Li]c1cc2ncccc2c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
KDM4E B2RXH2 6/20 0.46
MAPT P10636 4/20 0.46
HSP90AA1 P07900 8/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 2/20 0.42
NR4A2 P43354 1/20 0.42
CCR1 P32246 3/20 0.39
CCR8 P51685 3/20 0.39
CYP3A4 P08684 3/20 0.38
HTT P42858 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 3/20 0.38
HIF1A Q16665 3/20 0.38
SLC6A2 P23975 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
SCHEMBL9860748 0.76 KDM4E (0.59) LMNAKDM4EMAPTHSP90AA1L3MBTL1
SCHEMBL8034753 0.76 LMNA (0.50) LMNAKDM4EMAPTHSP90AA1L3MBTL1
SCHEMBL1149641 0.76 L3MBTL1 (0.61) LMNAKDM4EMAPTHSP90AA1L3MBTL1
SCHEMBL169519 0.76 LMNA (0.50) LMNAKDM4EMAPTHSP90AA1L3MBTL1
SCHEMBL1097183 0.76 HSP90AA1 (0.59) LMNAKDM4EMAPTHSP90AA1L3MBTL1
SCHEMBL8654916 0.76 CCR1 (0.61) LMNAKDM4EMAPTHSP90AA1L3MBTL1
SCHEMBL2884972 0.74 HSP90AA1 (0.58) LMNAKDM4EMAPTHSP90AA1L3MBTL1
SCHEMBL3382683 0.74 HSP90AA1 (0.58) LMNAKDM4EMAPTHSP90AA1L3MBTL1
SCHEMBL5473648 0.72 HSP90AA1 (0.62) LMNAKDM4EMAPTHSP90AA1L3MBTL1
SCHEMBL8410414 0.72 SYK (0.59) LMNAEGFRSYK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5070158-A Covalently labeled siloxane polymers HEWLETT-PACKARD COMPANY (US) 1991-12-03 US disclosed
EP-0283206-A2 Covalently labeled siloxane polymers Hewlett-Packard Company (US) 1988-09-21 EP disclosed