SCHEMBL7051848

SCHEMBL7051848

CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.67
PDE4B Q07343 7/20 0.67
PDE4C Q08493 7/20 0.67
PDE4D Q08499 7/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
PDE10A Q9Y233 1/20 0.55
POLB P06746 2/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.52
LMNA P02545 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
SCHEMBL7051840 0.91 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7051846 0.86 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7058531 0.82 ALDH1A1 (0.66) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL7055242 0.81 ALDH1A1 (0.65) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7051831 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL7053073 0.80 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7052437 0.80 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL14193486 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7051850 0.80 PDE10A (0.54) SMN1; SMN2PDE10APOLBTP53ALDH1A1
SCHEMBL7053635 0.79 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DSMN1; 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 3 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