SCHEMBL9711370

SCHEMBL9711370

OCC(Cn1cncn1)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.47
HTT P42858 3/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL10970720 0.91 CYP19A1 (0.53) CYP19A1HTTKDM4EPOLBALDH1A1
SCHEMBL7813583 0.88 KMT2A (0.49) CYP19A1HTTKDM4EPOLBALDH1A1
SCHEMBL9634892 0.81 CYP19A1 (0.50) CYP19A1HTTKDM4EPOLBALDH1A1
SCHEMBL29364531 0.80 ADRA2C (0.44) CYP19A1HTTKDM4EPOLBALDH1A1
SCHEMBL9711376 0.80 ADRA2C (0.44) CYP19A1HTTKDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL10832295 0.80 ALDH1A1 (0.47) CYP19A1HTTKDM4EPOLBALDH1A1
SCHEMBL11375336 0.80 CYP19A1 (0.51) CYP19A1HTTKDM4EPOLBALDH1A1
Ammonia Solution, Strong SCHEMBL9422751 0.79 CYP19A1 (0.42) CYP19A1HTTKDM4EPOLBALDH1A1
SCHEMBL12532514 0.78 CYP19A1 (0.50) CYP19A1HTTKDM4EPOLBALDH1A1
SCHEMBL9657263 0.78 CYP19A1 (0.50) CYP19A1HTTKDM4EPOLBALDH1A1

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
CN-100569757-C A kind of synthetic method of fluorine-containing triazole ether TECHNOLOGY CT OF JUHUA GROUP J (CN) 2009-12-16 CN disclosed
CN-101020664-A Synthesis process of fluoro triazole ether TECHN CT JUHUA GROUP (CN) 2007-08-22 CN disclosed
US-5081141-A 1,2,4-triazole derivatives as fungicides MONTEDISON S.P.A. (IT) 1992-01-14 US disclosed
EP-0234242-B1 FUNGICIDAL AZOLYL-DERIVATIVES MONTEDIPE S.r.l. (IT) 1991-08-07 EP disclosed
EP-0234242-A2 Fungicidal azolyl-derivatives MONTEDIPE S.r.l. (IT) 1987-09-02 EP disclosed
US-4482564-A FUNGICIDES SCHERING CORPORATION (US) 1984-11-13 US disclosed