SCHEMBL7966593

SCHEMBL7966593

CNC(=O)c1ccc(C)c(-c2ccc(OC(C)C(O)CCc3cccnc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 14/20 0.48
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
ABL1 P00519 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7966595 1.00 PTAFR (0.48) PTAFRPOLBHPGDABL1ALDH1A1
SCHEMBL7980074 0.86 PTAFR (0.51) PTAFRPOLBHPGDALDH1A1LMNA
SCHEMBL7980076 0.86 PTAFR (0.51) PTAFRPOLBHPGDALDH1A1LMNA
SCHEMBL7979957 0.84 CYP11B1 (0.44) PTAFR
SCHEMBL7979919 0.84 CYP11B1 (0.44) PTAFR
SCHEMBL7966313 0.83 PTAFR (0.45) PTAFRPOLBHPGD
SCHEMBL7966315 0.83 PTAFR (0.45) PTAFRPOLBHPGD
SCHEMBL7980472 0.81 LRRK2 (0.43) PTAFRPOLBHPGDALDH1A1LMNA
SCHEMBL7980467 0.81 LRRK2 (0.43) PTAFRPOLBHPGDALDH1A1LMNA
SCHEMBL7976720 0.79 KCNK3 (0.43) PTAFRPOLBHPGDLMNAKMT2A

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 2 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
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed