SCHEMBL8556645

SCHEMBL8556645

CCCc1[nH]c2cc(C(=O)NCCc3ccccc3)ccc2c1C(=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 2/20 0.48
MAPT P10636 4/20 0.48
TP53 P04637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
KDM4E B2RXH2 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7710536 0.83 HDAC3 (0.46) SMN1; SMN2RXFP1MAPTTP53MEN1
SCHEMBL18073895 0.82 ROCK2 (0.56) SMN1; SMN2MAPTTP53ALDH1A1KDM4E
SCHEMBL8554262 0.82 ALDH1A1 (0.54) SMN1; SMN2MAPTALDH1A1GAAHSD17B10
SCHEMBL8555826 0.82 KMT2A (0.44) SMN1; SMN2TP53ALDH1A1GAAHPGD
SCHEMBL7422734 0.81 KDM4E (0.44) PARP1RXFP1ALDH1A1GAAHSD17B10
SCHEMBL8629096 0.81 MAPT (0.55) RXFP1MAPTALDH1A1GAAHPGD
SCHEMBL7416246 0.81 ALOX5 (0.44) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL7707705 0.80 SMN1; SMN2 (0.42) PARP1SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL8553623 0.79 ALDH1A1 (0.44) SMN1; SMN2MAPTTP53ALDH1A1GAA
SCHEMBL8557970 0.79 MAPT (0.40) SMN1; SMN2MAPTTP53ALDH1A1GAA

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
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed