SCHEMBL6179891

SCHEMBL6179891

CC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.54
KMT2A Q03164 4/20 0.53
MAPT P10636 9/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
POLB P06746 3/20 0.49
LMNA P02545 4/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.46
RGS12 O14924 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PABPC1 P11940 2/20 0.44
PKM P14618 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL28480773 0.84 KMT2A (0.52) KMT2AMAPTSMN1; SMN2POLBLMNA
SCHEMBL25200788 0.81 HSPB1 (0.59) HSPB1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL17571121 0.81 HSPB1 (0.59) HSPB1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL8827695 0.81 MAPT (0.49) HSPB1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL1980276 0.78 HSPB1 (0.56) HSPB1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL1978695 0.78 KEAP1 (0.59) HSPB1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL16792542 0.78 HSPB1 (0.75) HSPB1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL6176183 0.78 KEAP1 (0.58) KMT2AMAPTSMN1; SMN2POLBLMNA
SCHEMBL25184221 0.78 KMT2A (0.60) HSPB1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL11201076 0.77 LMNA (0.46) KMT2AMAPTSMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066261-B1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 2005-11-23 EP disclosed
US-6511995-B1 Inhibits collagen synthesis, which is useful for prophylaxis or treatment of fibrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-01-28 US disclosed
EP-1066261-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed
WO-1999048871-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-09-30 WO disclosed