SCHEMBL7982565

SCHEMBL7982565

CNCCc1ccc(-c2ccc(O[C@@H](C)[C@H](O)CCc3cccnc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.39
MMP12 P39900 2/20 0.39
MEN1 O00255 2/20 0.39
ADRB3 P13945 1/20 0.39
PTAFR P25105 4/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
ADAMTS4 O75173 1/20 0.37
PSMB5 P28074 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL7976881 0.87 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2MMP12
SCHEMBL7966197 0.87 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2MMP12
SCHEMBL7978664 0.87 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2MMP12
SCHEMBL7980129 0.87 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2MMP12
SCHEMBL7977066 0.87 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2MMP12
SCHEMBL7976863 0.87 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2MMP12
SCHEMBL7978380 0.85 LMNA (0.46) POLBHPGDHTTSMN1; SMN2MMP12
SCHEMBL7978383 0.85 LMNA (0.46) POLBHPGDHTTSMN1; SMN2MMP12
SCHEMBL7982762 0.84 CYP3A4 (0.45) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7976521 0.84 POLB (0.41) POLBHPGDHTTSMN1; SMN2PTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US claimed
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