SCHEMBL10707686

SCHEMBL10707686

O=C(c1ccc(Cl)c(Cl)c1Cl)C(F)n1cncn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.38
CYP3A4 P08684 2/20 0.36
KMT2A Q03164 3/20 0.35
HSP90AA1 P07900 3/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL10710213 0.82 CYP19A1 (0.43) CYP19A1CYP3A4KMT2AMAPTMEN1
SCHEMBL10506310 0.82 CYP19A1 (0.48) CYP19A1CYP3A4KMT2AHSP90AA1MAPT
SCHEMBL10709129 0.78 CYP19A1 (0.41) CYP19A1CYP3A4KMT2AHSP90AA1MEN1
SCHEMBL10709515 0.75 CYP19A1 (0.55) CYP19A1CYP3A4KMT2AHSP90AA1MAPT
SCHEMBL10709431 0.75 HSP90AA1 (0.49) CYP19A1CYP3A4KMT2AHSP90AA1MAPT
SCHEMBL10454877 0.75 CES2 (0.46) CYP19A1CYP3A4KMT2AHSP90AA1ALDH1A1
SCHEMBL10711903 0.72 CYP19A1 (0.53) CYP19A1CYP3A4KMT2AHSP90AA1MAPT
SCHEMBL1874758 0.71 HSP90AA1 (0.47) CYP19A1KMT2AHSP90AA1
SCHEMBL11124433 0.71 CYP19A1 (0.48) CYP19A1CYP3A4KMT2AHSP90AA1MAPT
SCHEMBL10708678 0.70 CYP19A1 (0.39) CYP19A1CYP3A4KMT2AHSP90AA1MEN1

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