SCHEMBL7966644

SCHEMBL7966644

CC(=O)Nc1ccc(-c2ccc(OC(C)C(O)CCc3cccnc3)cc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.41
PDK1 Q15118 2/20 0.41
RORC P51449 6/20 0.40
PTAFR P25105 2/20 0.40
THRB P10828 1/20 0.39
NAMPT P43490 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7966646 1.00 CYP11B1 (0.45) CYP11B1CYP11B2ALDH1A1HTTKMT2A
SCHEMBL7966718 0.90 PDK1 (0.50) CYP11B1CYP11B2ALDH1A1HTTKMT2A
SCHEMBL7978375 0.90 PDK1 (0.50) CYP11B1CYP11B2ALDH1A1HTTKMT2A
SCHEMBL7980152 0.85 MARS1 (0.46) LMNAPDK1PTAFRPOLBHPGD
SCHEMBL7979921 0.85 PDK1 (0.39) CYP11B1CYP11B2HTTPDK1PTAFR
SCHEMBL7976682 0.80 NAMPT (0.46) HTTKMT2AMEN1LMNAPTAFR
SCHEMBL8022091 0.80 NAMPT (0.46) HTTKMT2AMEN1LMNAPTAFR
SCHEMBL7976678 0.80 NAMPT (0.46) HTTKMT2AMEN1LMNAPTAFR
SCHEMBL7979927 0.79 NAMPT (0.49) HTTKMT2AMAPTMEN1LMNA
SCHEMBL7978580 0.79 NAMPT (0.49) HTTKMT2AMAPTMEN1LMNA

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