SCHEMBL7974416

SCHEMBL7974416

Nc1cccc(-c2nc(O)c3c(ncn3Cc3ccc(F)cc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.43
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MAPK14 Q16539 4/20 0.37
QPCT Q16769 2/20 0.36
QPCTL Q9NXS2 1/20 0.36
ADORA2A P29274 1/20 0.36
GRM2 Q14416 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL7988734 0.91 MET (0.44) METCYP11B1CYP11B2MAPK14GRM2
SCHEMBL7985299 0.90 CDK9 (0.39) CYP11B1CYP11B2MAPK14ADORA2AKDM4E
SCHEMBL7985613 0.90 MET (0.46) METCYP11B1CYP11B2ADORA2AHSD17B13
SCHEMBL7984659 0.90 ALDH1A1 (0.44) CYP11B1CYP11B2ADORA2AKDM4EMEN1
SCHEMBL7988781 0.89 MET (0.43) METCYP11B1CYP11B2LMNAHSD17B13
SCHEMBL7984423 0.89 SMN1; SMN2 (0.38) CYP11B1CYP11B2ADORA2AKDM4EMEN1
Hydrochloric Acid SCHEMBL7987662 0.89 ALDH1A1 (0.43) CYP11B1CYP11B2ADORA2AKDM4EMEN1
SCHEMBL7986521 0.88 CYP11B1 (0.47) METCYP11B1CYP11B2ADORA2AKDM4E
SCHEMBL7991400 0.86 NR1H4 (0.43) ADORA2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL7984281 0.86 MET (0.52) METCYP11B1CYP11B2MAPK14QPCT

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