SCHEMBL11210976

SCHEMBL11210976

c1ccc(C(Cn2cncn2)OC(Cn2cncn2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HSP90AA1 P07900 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
IDH1 O75874 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
SCHEMBL10959984 0.82 CYP19A1 (0.56) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL28026657 0.81 KMT2A (0.46) CYP19A1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7789025 0.81 KMT2A (0.48) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL12462114 0.79 CYP19A1 (0.53) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL5544140 0.78 TSHR (0.58) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL7783933 0.78 TSHR (0.58) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL11127036 0.78 CYP19A1 (0.56) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL12309934 0.78 KMT2A (0.54) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL10926146 0.78 CYP19A1 (0.51) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL11182304 0.77 CYP19A1 (0.41) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327104-A FUNGICIDES AND BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-04-27 US claimed
US-4400388-A Fungicidal 1-phenyl-2-(1,2,4-triazol-1-yl)-ethyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 US disclosed
US-4400388-A Fungicidal 1-phenyl-2-(1,2,4-triazol-1-yl)-ethyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 US disclosed
US-4400388-A Fungicidal 1-phenyl-2-(1,2,4-triazol-1-yl)-ethyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 US disclosed
US-4327104-A FUNGICIDES AND BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed
US-4327104-A FUNGICIDES AND BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed