SCHEMBL7980076

SCHEMBL7980076

CNC(=O)c1cccc(-c2ccc(O[C@@H](C)[C@H](O)CCc3cccnc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 7/20 0.51
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
GPR132 Q9UNW8 6/20 0.44
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMPD1 P17405 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7980074 1.00 PTAFR (0.51) PTAFRMEN1LMNAKMT2ATDP1
SCHEMBL7978309 0.89 PTAFR (0.48) PTAFRMKNK1MKNK2POLBHPGD
SCHEMBL7978928 0.89 PTAFR (0.48) PTAFRMKNK1MKNK2POLBHPGD
SCHEMBL7979959 0.87 PTAFR (0.47) PTAFRLMNAPOLBHPGDHTT
SCHEMBL7979963 0.87 PTAFR (0.47) PTAFRLMNAPOLBHPGDHTT
SCHEMBL7966595 0.86 PTAFR (0.48) PTAFRMEN1LMNAKMT2ATDP1
SCHEMBL7966593 0.86 PTAFR (0.48) PTAFRMEN1LMNAKMT2ATDP1
SCHEMBL7980129 0.83 PTAFR (0.42) PTAFRLMNAPOLBHPGDCYP3A4
SCHEMBL7966197 0.83 PTAFR (0.42) PTAFRLMNAPOLBHPGDCYP3A4
SCHEMBL7976881 0.83 PTAFR (0.42) PTAFRLMNAPOLBHPGDCYP3A4

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
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