SCHEMBL7657249

SCHEMBL7657249

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CHEK1 O14757 1/20 0.37
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRA6 Q16445 1/20 0.37
PARP1 P09874 1/20 0.37
MMP2 P08253 1/20 0.36
MAPT P10636 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RNASEH1 O60930 1/20 0.35
NTRK1 P04629 3/20 0.35
GAA P10253 1/20 0.34
NTRK2 Q16620 1/20 0.34

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
SCHEMBL7656006 0.91 KDM4E (0.42) NPC1RAB9ABRD4CREBBPCHEK1
SCHEMBL29828622 0.87 CHEK1 (0.48) NPC1RAB9ABRD4CREBBPCHEK1
SCHEMBL6945277 0.87 CHEK1 (0.48) NPC1RAB9ABRD4CREBBPCHEK1
SCHEMBL6952443 0.87 BRD4 (0.46) NPC1RAB9ABRD4CREBBPCHEK1
SCHEMBL7653156 0.85 ALDH1A1 (0.42) NPC1RAB9ABRD4CREBBPCHEK1
SCHEMBL7650912 0.85 NPC1 (0.40) NPC1RAB9ABRD4CREBBPCHEK1
SCHEMBL7657259 0.84 NPC1 (0.39) NPC1RAB9AMMP2MAPTHDAC6
SCHEMBL7649489 0.84 NPC1 (0.41) NPC1RAB9ABRD4CREBBPCHEK1
SCHEMBL7654820 0.83 ALDH1A1 (0.50) NPC1RAB9ABRD4CREBBPCHEK1
SCHEMBL529009 0.83 RAB9A (0.48) NPC1RAB9ABRD4CREBBPMAPT

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