SCHEMBL4700675

SCHEMBL4700675

COc1c(F)ccc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
CCR1 P32246 3/20 0.52
CCR5 P51681 3/20 0.52
CCR8 P51685 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MMP2 P08253 2/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
MMP9 P14780 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
MMP8 P22894 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52

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
SCHEMBL14768504 0.80 LMNA (0.59) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL4539236 0.79 LMNA (0.52) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL10087924 0.79 LMNA (0.53) LMNACCR1CCR5CCR8SMN1; SMN2
Phenanthroline SCHEMBL4296938 0.77 LMNA (0.50) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL25184887 0.76 LMNA (0.48) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL21657686 0.76 LMNA (0.48) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL29953507 0.76 LMNA (0.48) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL14596487 0.76 KDM4E (0.58) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL29801849 0.75 LMNA (0.62) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL3562790 0.75 LMNA (0.62) LMNACCR1CCR5CCR8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
CN-1148189-C Quinoline carboxamides as TNF inhibitors and as PDC-IV inhibitors ������������� 2004-05-05 CN disclosed
EP-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP disclosed
CN-1219131-A Quinoline carboxamides as TNF inhibitors and as PDC-IV inhibitors DARWIN DISCOVERY CO LTD (GB) 1999-06-09 CN disclosed
US-5804588-A TREATING DISEASES THAT ARE MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR CHIROSCIENCE LIMITED (GB) 1998-09-08 US disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed