SCHEMBL8553082

SCHEMBL8553082

CCc1[nH]c2cc(C(=O)OC)ccc2c1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.52
PARP1 P09874 1/20 0.49
ALOX5 P09917 1/20 0.47
KMT2A Q03164 8/20 0.47
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 4/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 4/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 3/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAF1 P04049 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
SCHEMBL8557670 0.91 KMT2A (0.53) KIF11PARP1ALOX5KMT2AMEN1
SCHEMBL8552714 0.88 KIF11 (0.49) KIF11PARP1ALOX5KMT2AMEN1
SCHEMBL8554616 0.86 KIF11 (0.54) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL7422740 0.81 KIF11 (0.55) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL7415956 0.80 KIF11 (0.53) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL7467512 0.78 KIF11 (0.51) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL7416246 0.77 ALOX5 (0.44) KIF11ALOX5KMT2AMEN1ALDH1A1
SCHEMBL7418110 0.76 KMT2A (0.58) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL2486166 0.74 KIF11 (0.63) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL7409075 0.74 KMT2A (0.55) KIF11PARP1KMT2AMEN1ALDH1A1

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