SCHEMBL3885158

SCHEMBL3885158

[Fe].c1cnc2c(c1)ccc1ncccc12.c1cnc2c(c1)ccc1ncccc12.c1cnc2c(c1)ccc1ncccc12

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.96
CYP3A4 P08684 2/20 0.64
CCR1 P32246 5/20 0.60
CCR8 P51685 5/20 0.60
MAPT P10636 3/20 0.60
HSP90AA1 P07900 3/20 0.60
CCR5 P51681 3/20 0.60
KDM4E B2RXH2 2/20 0.60
HTT P42858 2/20 0.60
HIF1A Q16665 2/20 0.60
MMP2 P08253 2/20 0.60
TSHR P16473 2/20 0.60
GMNN O75496 1/20 0.60
TP53 P04637 1/20 0.60
CYP2D6 P10635 1/20 0.60
MMP9 P14780 1/20 0.60
ALOX15 P16050 1/20 0.60
NFKB1 P19838 1/20 0.60
MMP8 P22894 1/20 0.60
THPO P40225 1/20 0.60

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
SCHEMBL1543407 1.00 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL1003398 1.00 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL8313 0.98 LMNA (1.00) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL6513577 0.98 LMNA (1.00) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL7268962 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL1052095 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL723791 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
Hydrochloric Acid SCHEMBL4917361 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL15788918 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL7142651 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311241-B1 USE OF A POROUS CARRIER DYTECH CORP LTD (GB) 2009-01-14 EP disclosed
US-20040265350-A1 Use of a porous carrier UNIVERSITY OF WARWICK (GB) 2004-12-30 US disclosed
EP-1311241-A2 USE OF A POROUS CARRIER DYTECH CORPORATION LIMITED (GB) 2003-05-21 EP disclosed
WO-2002015881-A2 USE OF A POROUS CARRIER DYTECH CORPORATION LTD. (GB) 2002-02-28 WO disclosed