SCHEMBL4752671

SCHEMBL4752671

CC(CBr)Cc1nc2nc3ccccc3nc2c(=O)n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 3/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 2/20 0.40
RGS12 O14924 1/20 0.40
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX5AP P20292 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL4098315 0.88 LMNA (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4109641 0.77 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5649781 0.76 TDP1 (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4753082 0.75 TLR7 (0.41) TDP1TLR7NPSR1L3MBTL1
SCHEMBL13981796 0.74 CACNA2D1 (0.40) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5233894 0.73 KIF11 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6208219 0.73 SMN1; SMN2 (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5118726 0.71 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5106687 0.71 LMNA (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5108726 0.68 MEN1 (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed