SCHEMBL7979927

SCHEMBL7979927

CNC(=O)Nc1ccc(-c2ccc(OC(C)C(O)CCc3cccnc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.49
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP12 P39900 1/20 0.41
LMNA P02545 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL7978580 1.00 NAMPT (0.49) NAMPTKMT2AMEN1NPC1MAPT
SCHEMBL8022091 0.89 NAMPT (0.46) NAMPTKMT2AMEN1POLBHPGD
SCHEMBL7976682 0.89 NAMPT (0.46) NAMPTKMT2AMEN1POLBHPGD
SCHEMBL7976678 0.89 NAMPT (0.46) NAMPTKMT2AMEN1POLBHPGD
SCHEMBL7978383 0.85 LMNA (0.46) MAPTPOLBHPGDHTTSMN1; SMN2
SCHEMBL7978380 0.85 LMNA (0.46) MAPTPOLBHPGDHTTSMN1; SMN2
SCHEMBL7976863 0.83 PTAFR (0.42) PKMPOLBHPGDHTTSMN1; SMN2
SCHEMBL7966197 0.83 PTAFR (0.42) PKMPOLBHPGDHTTSMN1; SMN2
SCHEMBL7976881 0.83 PTAFR (0.42) PKMPOLBHPGDHTTSMN1; SMN2
SCHEMBL7980129 0.83 PTAFR (0.42) PKMPOLBHPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP claimed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO claimed
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed