SCHEMBL7656006

SCHEMBL7656006

CC(C)OC(=O)CC(O)c1cccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MMP2 P08253 1/20 0.41
TSHR P16473 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
PARP1 P09874 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RNASEH1 O60930 1/20 0.37
CHEK1 O14757 1/20 0.36
NTRK1 P04629 3/20 0.36
DAO P14920 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK2 Q16620 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
SCHEMBL7657249 0.91 NPC1 (0.39) NPC1RAB9AMMP2BRD4CREBBP
SCHEMBL6952443 0.89 BRD4 (0.46) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL7650912 0.88 NPC1 (0.40) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL6945277 0.88 CHEK1 (0.48) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL29828622 0.88 CHEK1 (0.48) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL7649489 0.87 NPC1 (0.41) NPC1RAB9AMMP2BRD4CREBBP
SCHEMBL7653156 0.86 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL529009 0.86 RAB9A (0.48) ALDH1A1NPC1RAB9ABRD4CREBBP
SCHEMBL7654820 0.84 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL7656015 0.83 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10NPC1

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-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed