SCHEMBL8936768

SCHEMBL8936768

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.37
PDE2A O00408 3/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 1/20 0.35
ICAM1 P05362 2/20 0.35
SELE P16581 2/20 0.35
MAPT P10636 2/20 0.34
TBXAS1 P24557 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP11B1 P15538 1/20 0.33
NOTUM Q6P988 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL8936798 0.89 CYP19A1 (0.39) CYP19A1MAPK1HPGDMAPTLMNA
SCHEMBL8936742 0.89 HCAR3 (0.43) CYP19A1MAPK1HPGDTDP1CYP11B1
SCHEMBL9204708 0.82 CYP19A1 (0.44) CYP19A1MAPTLMNACYP11B1KDM4E
SCHEMBL9202290 0.82 CYP19A1 (0.39) CYP19A1CYP11B1KDM4EHTT
SCHEMBL9201287 0.82 CYP19A1 (0.39) CYP19A1MAPTCYP11B1KDM4E
SCHEMBL8936723 0.82 CYP19A1 (0.39) CYP19A1MAPTCYP11B1KDM4E
SCHEMBL8936722 0.82 CYP19A1 (0.46) CYP19A1MAPK1TDP1CYP11B1
SCHEMBL8936774 0.81 CYP19A1 (0.39) CYP19A1HPGDMAPTLMNACYP11B1
SCHEMBL8936729 0.80 CYP19A1 (0.41) CYP19A1MAPK1MAPTLMNACYP11B1
SCHEMBL8936685 0.79 CYP19A1 (0.37) CYP19A1MAPTCYP11B1KDM4E

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