SCHEMBL8936798

SCHEMBL8936798

CC(=O)c1ccc(Oc2ccc3nnn(C)c3c2)c(Cn2cncn2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.39
RXFP1 Q9HBX9 1/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP11B1 P15538 1/20 0.35
HPGD P15428 4/20 0.35
ALDH1A1 P00352 3/20 0.35
NOTUM Q6P988 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR3 P49019 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8936742 0.93 HCAR3 (0.43) CYP19A1MAPK1TDP1CYP11B1HPGD
SCHEMBL8936768 0.89 CYP19A1 (0.37) CYP19A1MAPK1TDP1CYP11B1HPGD
SCHEMBL9204708 0.85 CYP19A1 (0.44) CYP19A1CYP11B1ALDH1A1MEN1KMT2A
SCHEMBL8936723 0.85 CYP19A1 (0.39) CYP19A1CYP11B1ALDH1A1TSHRMAPT
SCHEMBL8936722 0.85 CYP19A1 (0.46) CYP19A1MAPK1TDP1CYP11B1ALDH1A1
SCHEMBL9201287 0.85 CYP19A1 (0.39) CYP19A1CYP11B1ALDH1A1TSHRMEN1
SCHEMBL9202290 0.85 CYP19A1 (0.39) CYP19A1CYP11B1
SCHEMBL8936774 0.84 CYP19A1 (0.39) CYP19A1RXFP1CYP11B1HPGDALDH1A1
SCHEMBL8936729 0.83 CYP19A1 (0.41) CYP19A1MAPK1CYP11B1ALDH1A1NOTUM
SCHEMBL8936751 0.83 CYP19A1 (0.40) CYP19A1TDP1CYP11B1L3MBTL1

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-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed