SCHEMBL11032944

SCHEMBL11032944

C[Si@](Cn1cncn1)(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.48
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.40
HSP90AA1 P07900 2/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP51A1 Q16850 1/20 0.38
CYP2D6 P10635 1/20 0.37
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL10940035 1.00 CYP19A1 (0.48) CYP19A1MAPK1KMT2AHSP90AA1CYP3A4
Flusilazole SCHEMBL8677611 0.94 CYP19A1 (0.49) CYP19A1MAPK1KMT2AHSP90AA1CYP3A4
Flusilazole SCHEMBL7049517 0.94 CYP19A1 (0.49) CYP19A1MAPK1KMT2AHSP90AA1CYP3A4
Flusilazole SCHEMBL21313 0.94 CYP19A1 (0.49) CYP19A1MAPK1KMT2AHSP90AA1CYP3A4
SCHEMBL10946336 0.91 CYP19A1 (0.53) CYP19A1KMT2AHSP90AA1LMNAHTT
SCHEMBL17018813 0.88 CYP19A1 (0.44) CYP19A1MAPK1KMT2AHSP90AA1CYP3A4
SCHEMBL11031755 0.87 MAPT (0.49) CYP19A1KMT2AHSP90AA1LMNAHTT
Flusilazole SCHEMBL9677988 0.85 CYP19A1 (0.39) CYP19A1MAPK1KMT2AHSP90AA1CYP3A4
SCHEMBL10939860 0.85 CYP19A1 (0.49) CYP19A1KMT2AHSP90AA1CYP3A4LMNA
SCHEMBL10947085 0.85 CYP19A1 (0.50) CYP19A1KMT2AHSP90AA1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0068813-B1 FUNGICIDAL 1,2,4-TRIAZOLE AND IMIDAZOLE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-09-25 EP claimed