SCHEMBL6546290

SCHEMBL6546290

CCn1cc(C(=O)Nc2ccccc2)c(=O)c2cnc(N3CCCC3)nc21

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.73
CASP1 P29466 1/20 0.73
PDE4A P27815 2/20 0.65
PDE4B Q07343 2/20 0.65
PDE4C Q08493 2/20 0.65
PDE4D Q08499 2/20 0.65
KDM4E B2RXH2 4/20 0.62
MAPK1 P28482 1/20 0.62
ENPP2 Q13822 11/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 1/20 0.61
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
PTPN11 Q06124 1/20 0.57

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
Hydrochloric Acid SCHEMBL6547195 0.99 LMNA (0.71) LMNACASP1PDE4APDE4BPDE4C
SCHEMBL8236893 0.87 LMNA (0.83) LMNACASP1PDE4APDE4BPDE4C
SCHEMBL6546694 0.85 LMNA (0.68) LMNACASP1PDE4APDE4BPDE4C
SCHEMBL6546696 0.85 PDE4A (0.85) LMNACASP1PDE4APDE4BPDE4C
Piromidic Acid SCHEMBL134848 0.85 LMNA (1.00) LMNACASP1PDE4APDE4BPDE4C
Piromidic Acid SCHEMBL29479929 0.85 LMNA (1.00) LMNACASP1PDE4APDE4BPDE4C
SCHEMBL15281382 0.84 KDM4E (0.81) LMNACASP1KDM4EMAPK1ENPP2
Piromidic Acid SCHEMBL7759092 0.84 LMNA (0.98) LMNACASP1PDE4APDE4BPDE4C
SCHEMBL26193584 0.84 LMNA (0.98) LMNACASP1PDE4APDE4BPDE4C
SCHEMBL6546470 0.83 LMNA (0.65) LMNACASP1PDE4APDE4BPDE4C

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-0841927-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-01-28 EP claimed
EP-0841927-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-01-28 EP disclosed
EP-0841927-A1 QUINOLONES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-05-20 EP disclosed
WO-1997004775-A1 QUINOLONES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-02-13 WO disclosed