SCHEMBL7323966

SCHEMBL7323966

CCCCc1nc(O)c(CCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RNASEH1 O60930 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
DAO P14920 3/20 0.47
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
HCAR2 Q8TDS4 3/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL7323950 0.84 PARP1 (0.56) PARP1ALDH1A1HPGDMAPTRNASEH1
SCHEMBL7378035 0.79 MAPT (0.47) ALDH1A1HPGDMAPTRNASEH1SMN1; SMN2
SCHEMBL28236562 0.77 ALDH1A1 (0.50) PARP1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL5380589 0.77 GSK3B (0.56) PARP1LMNADAOMEN1KMT2A
SCHEMBL19386255 0.77 PARP1 (0.47) PARP1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL7321697 0.75 PARP1 (0.54) PARP1RNASEH1SMN1; SMN2LMNADAO
SCHEMBL18989645 0.75 HDAC3 (0.46) PARP1ALDH1A1RNASEH1LMNADAO
SCHEMBL27771388 0.73 PARP1 (0.46) PARP1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL5382897 0.73 GSK3B (0.57) PARP1DAOHCAR2
SCHEMBL8595641 0.72 PARP1 (0.45) PARP1ALDH1A1HPGDMAPTL3MBTL1

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
US-6071913-A 2-(1H-TETRAZOL-5-YL)-4'-(AS-TRIAZIN-YLMETHYL)BIPHENYLS; CARDIOVASCULAR DISEASES, ESPECIALLY HYPERTENSION AND CONGESTIVE HEART FAILURE DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2000-06-06 US disclosed