SCHEMBL10709129

SCHEMBL10709129

O=C(c1ccc(Cl)c(Cl)c1)C(F)n1cncn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.41
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 1/20 0.40
TSHR P16473 1/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40
ELANE P08246 1/20 0.40
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 5/20 0.39
SLC6A2 P23975 4/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10709515 0.84 CYP19A1 (0.55) CYP19A1KMT2AHSP90AA1MEN1CYP3A4
SCHEMBL10570329 0.83 SLC6A4 (0.43) CYP19A1KMT2AHSP90AA1TSHRF2
SCHEMBL11124433 0.82 CYP19A1 (0.48) CYP19A1KMT2AHSP90AA1TSHRCYP3A4
SCHEMBL1874758 0.80 HSP90AA1 (0.47) CYP19A1KMT2AHSP90AA1
SCHEMBL10710213 0.80 CYP19A1 (0.43) CYP19A1KMT2ATSHRMEN1HPGD
SCHEMBL10712303 0.78 HSP90AA1 (0.46) CYP19A1KMT2AHSP90AA1TSHRCYP3A4
SCHEMBL10711903 0.78 CYP19A1 (0.53) CYP19A1KMT2AHSP90AA1MEN1CYP3A4
SCHEMBL10707686 0.78 CYP19A1 (0.38) CYP19A1KMT2AHSP90AA1TSHRMEN1
SCHEMBL10764624 0.77 CYP3A4 (0.50) CYP19A1KMT2AHSP90AA1TSHRMEN1
SCHEMBL10506310 0.77 CYP19A1 (0.48) CYP19A1KMT2AHSP90AA1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0149426-A1 Microbizides CIBA-GEIGY AG (CH) 1985-07-24 EP claimed
EP-0149426-B1 MICROBIZIDES CIBA-GEIGY AG (CH) 1988-05-04 EP disclosed
US-4690942-A FUNGICIDE CIBA-GEIGY CORPORATION (US) 1987-09-01 US disclosed
EP-0149426-A1 Microbizides CIBA-GEIGY AG (CH) 1985-07-24 EP disclosed