SCHEMBL7988484

SCHEMBL7988484

CCCc1nc(O)c2c(ncn2Cc2cccc(F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
BRD4 O60885 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CDK9 P50750 3/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
DPP4 P27487 1/20 0.37
THRB P10828 1/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL7984208 0.92 MAPT (0.39) PDE1APDE1BPDE1CBRD4NPSR1
SCHEMBL7988533 0.90 TAAR1 (0.43) BRD4CDK9HSD17B13CYP11B1CYP11B2
SCHEMBL7988660 0.87 CYP11B1 (0.49) ALDH1A1TSHRCYP11B1CYP11B2MAPT
SCHEMBL7989501 0.87 CDK9 (0.38) BRD4ALDH1A1CDK9HSD17B13CYP11B1
SCHEMBL7991724 0.86 SMN1; SMN2 (0.47) BRD4MAPK1KDM4E
SCHEMBL7988957 0.86 MET (0.45) NPSR1ALDH1A1TSHRCYP11B1CYP11B2
SCHEMBL7989407 0.86 HPGD (0.44) ALDH1A1PKMTSHRCYP11B1CYP11B2
SCHEMBL7984135 0.84 GAA (0.49) ALDH1A1MAPTLMNAKDM4E
SCHEMBL7985861 0.81 CNOT7 (0.44) ALDH1A1PKMHSD17B13CYP11B1PPARG
SCHEMBL7991669 0.81 HDAC1 (0.38) BRD4CDK9HSD17B13CYP11B1CYP11B2

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