SCHEMBL19554149

SCHEMBL19554149

COC(=O)c1ccc2cc(C#C[Si](C)(C)C)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.48
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
LCK P06239 1/20 0.46
PLAU P00749 2/20 0.45
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
HGFAC Q04756 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL168698 0.84 PTPN11 (0.54) PTPN11CA1CA2CA12CA7
SCHEMBL19513816 0.83 PTPN11 (0.51) PTPN11CYP19A1CYP11B1CYP11B2LCK
SCHEMBL498052 0.82 ALDH1A1 (0.51) KDM4EALDH1A1CYP3A4
SCHEMBL6135654 0.81 MAPT (0.50) PTPN11CA1CA2CA12CA7
SCHEMBL6132177 0.80 PTPN11 (0.50) PTPN11CA1CA2CA12CA7
SCHEMBL29365729 0.79 PTPN11 (0.68) PTPN11CYP19A1CYP11B1CYP11B2LCK
SCHEMBL1914269 0.79 CYP1A1 (0.38) CYP11B1CYP11B2PLAU
SCHEMBL69025 0.79 PTPN11 (0.68) PTPN11CYP19A1CYP11B1CYP11B2LCK
SCHEMBL5566033 0.78 PLAU (0.64) PTPN11CYP19A1CYP11B1CYP11B2LCK
SCHEMBL19712252 0.78 KDM4E (0.46) PTPN11CA1CA2CA12CA7

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed