SCHEMBL7974200

SCHEMBL7974200

Oc1nc(-c2cccc(Cl)c2)nc2ncn(Cc3ccccc3F)c12

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
HSD17B13 Q7Z5P4 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPK14 Q16539 1/20 0.36
MAPT P10636 1/20 0.36
XPO1 O14980 1/20 0.35
PDE5A O76074 2/20 0.35
PDE1A P54750 2/20 0.35
PDE1B Q01064 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE1C Q14123 2/20 0.35

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
SCHEMBL7988749 0.89 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHSD17B13
SCHEMBL7984681 0.89 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHSD17B13
SCHEMBL7985410 0.88 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHSD17B13
SCHEMBL7987222 0.88 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7974012 0.86 ALDH1A1 (0.41) KDM4EALDH1A1KMT2AACP1ADORA3
SCHEMBL7988781 0.85 MET (0.43) PDE4BHSD17B13LMNAXPO1ACP1
SCHEMBL7988408 0.85 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7973626 0.84 SMN1; SMN2 (0.45) KDM4EACP1ADORA1HDAC1HDAC6
SCHEMBL7986754 0.84 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7985360 0.83 POLB (0.40) HSD17B13LMNAPOLBACP1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed