SCHEMBL9080800

SCHEMBL9080800

CCOC(=O)OCn1cnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.51
APAF1 O14727 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
PKM P14618 1/20 0.48
HTT P42858 2/20 0.48
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
LMNA P02545 2/20 0.48
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
FDPS P14324 1/20 0.47
CDYL2 Q8N8U2 1/20 0.46
CDYL Q9Y232 1/20 0.46

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
SCHEMBL10823327 0.93 EGLN3 (0.58) EGLN3APAF1TDP1KDM4ENPC1
SCHEMBL28108555 0.84 EGLN3 (0.52) EGLN3APAF1TDP1KDM4ENPC1
SCHEMBL28235209 0.84 EGLN3 (0.55) EGLN3APAF1TDP1KDM4ENPC1
SCHEMBL7404412 0.81 ALDH1A1 (0.65) TDP1KDM4ENPC1ALDH1A1MEN1
SCHEMBL5613880 0.81 KDM4E (0.56) EGLN3APAF1TDP1KDM4ENPC1
SCHEMBL4064250 0.79 EGLN3 (0.65) EGLN3APAF1TDP1KDM4EALDH1A1
SCHEMBL9670554 0.79 TDP1 (0.59) APAF1TDP1ALDH1A1MEN1KMT2A
SCHEMBL5884818 0.77 TDP1 (0.61) EGLN3TDP1KDM4EALDH1A1MEN1
SCHEMBL5082052 0.77 APAF1 (0.58) EGLN3APAF1TDP1KDM4ENPC1
SCHEMBL29145104 0.76 ALDH1A1 (0.55) KDM4ENPC1ALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995032957-A1 NOVEL ETHOXYCARBONYLOXYMETHYL DERIVATIVES OF SUBSTITUTED BENZIMIDAZOLES ASTRA AKTIEBOLAG (SE) 1995-12-07 WO claimed
WO-1991009029-A1 THERAPEUTICALLY ACTIVE CHLORO SUBSTITUTED BENZIMIDAZOLES, PROCESSES FOR THEIR PREPARATION AS WELL AS THEIR USE Aktiebolaget Hässle (SE) 1991-06-27 WO claimed
WO-1996016959-A1 A PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1996-06-06 WO disclosed