SCHEMBL6950177

SCHEMBL6950177

CCOC(=O)CC(=O)c1cc(OC)cc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
NTRK1 P04629 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGES O14684 1/20 0.40
NTRK2 Q16620 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL6946502 0.88 MAPT (0.44) MAPTBRD4CREBBPNTRK1HDAC1
SCHEMBL6947173 0.87 MAPT (0.39) MAPTBRD4CREBBPNTRK1HDAC1
SCHEMBL6947548 0.87 MAPT (0.43) MAPTBRD4CREBBPNTRK1HDAC1
SCHEMBL6949839 0.85 CHEK1 (0.50) MAPTBRD4CREBBPNTRK1HDAC1
SCHEMBL6950181 0.84 MAPT (0.43) MAPTNTRK1TDP1L3MBTL1HDAC1
SCHEMBL6951783 0.84 DHODH (0.47) BRD4CREBBPNTRK1NPC1RAB9A
SCHEMBL6946446 0.81 MAPT (0.41) MAPTBRD4CREBBPNTRK1TDP1
SCHEMBL6948273 0.79 DHODH (0.51) MAPTBRD4CREBBPL3MBTL1HDAC1
SCHEMBL6948942 0.77 BRD4 (0.50) MAPTBRD4CREBBPNTRK1NPC1
SCHEMBL6945300 0.77 CHEK1 (0.48) MAPTBRD4CREBBPNTRK1HDAC1

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
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed