SCHEMBL6948868

SCHEMBL6948868

NC(=O)CC(OC(=O)/C=C\C(=O)OC(CC(N)=O)c1cccc2[nH]c(CCc3ccccc3)nc12)c1cccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PARP1 P09874 3/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RNASEH1 O60930 1/20 0.35

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
Maleic Acid SCHEMBL6948865 0.82 RAB9A (0.41) RAB9ANPC1HDAC1HDAC6BRD4
SCHEMBL6954316 0.77 CHEK1 (0.45) RAB9ANPC1HDAC1HDAC6BRD4
SCHEMBL529009 0.75 RAB9A (0.48) RAB9ANPC1HDAC1HDAC6BRD4
SCHEMBL6943101 0.75 RAB9A (0.50) RAB9ANPC1HDAC1HDAC6BRD4
SCHEMBL6950391 0.74 CHEK1 (0.52) RAB9ANPC1HDAC6BRD4CREBBP
Hydrochloric Acid SCHEMBL6953890 0.73 CHEK1 (0.51) RAB9ANPC1HDAC6BRD4CREBBP
SCHEMBL7656006 0.73 KDM4E (0.42) RAB9ANPC1HDAC6BRD4CREBBP
SCHEMBL6952443 0.73 BRD4 (0.46) RAB9ANPC1HDAC1HDAC6BRD4
SCHEMBL29412049 0.72 PARP1 (0.60) RAB9ANPC1PARP1
SCHEMBL6945574 0.72 CHEK1 (0.46) RAB9ANPC1HDAC6BRD4CREBBP

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