SCHEMBL7055488

SCHEMBL7055488

CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc(C)ccc21

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.77
PDE4B Q07343 7/20 0.77
PDE4C Q08493 7/20 0.77
PDE4D Q08499 7/20 0.77
RXFP1 Q9HBX9 1/20 0.65
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 3/20 0.57
TP53 P04637 2/20 0.56
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 1/20 0.50
USP2 O75604 1/20 0.50

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 SCHEMBL7051870 0.99 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7056840 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7053642 0.86 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7052620 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7056817 0.84 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DRXFP1
Hydrochloric Acid SCHEMBL7052441 0.84 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7051890 0.83 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7055628 0.81 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7056126 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRXFP1
Hydrochloric Acid SCHEMBL7054209 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP claimed
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP disclosed
US-5891878-A Quinolones and their therapeutic use CHIROSCIENCE LIMITED (GB) 1999-04-06 US disclosed
EP-0841929-A1 QUINOLONES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-05-20 EP disclosed
WO-1997004779-A1 QUINOLONES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-02-13 WO disclosed