SCHEMBL6180267

SCHEMBL6180267

Nc1ccc(Oc2ccc3c(c2)C(=O)CC3)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
POLB P06746 2/20 0.52
RAB9A P51151 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
BRCA1 P38398 1/20 0.48
HBB P68871 1/20 0.48
BRAF P15056 1/20 0.44
HRH3 Q9Y5N1 7/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
BRD4 O60885 1/20 0.40
PBRM1 Q86U86 1/20 0.40
HRH1 P35367 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 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
SCHEMBL6176329 0.92 KDM4E (0.50) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL388369 0.82 HRH3 (0.56) HRH3
SCHEMBL6179822 0.80 HSPB1 (0.55) KDM4ERAB9AMEN1KMT2AALDH1A1
SCHEMBL6176295 0.77 KDM4E (0.54) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL10624261 0.76 THRB (0.51) MAOAMAOB
SCHEMBL3485235 0.73 CASP1 (0.46) HSD17B10BRAFHRH3CASP1CASP7
SCHEMBL6178591 0.73 HSPB1 (0.53) RAB9AMEN1KMT2AALDH1A1MAOA
SCHEMBL1122267 0.72 BRAF (0.56) BRAFHRH3BRD4PBRM1MAOA
SCHEMBL20931746 0.72 KDM4E (0.79) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL30513596 0.72 CASP1 (0.70) KDM4EPOLBRAB9AMEN1KMT2A

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