SCHEMBL13625949

SCHEMBL13625949

Pc1ccc(-c2ccc(I)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.34
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ TPMT P51580 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ APP P05067 1/20 0.30

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
SCHEMBL6236137 0.90 — —
SCHEMBL66792 0.83 METAP2 (0.42) METAP2CA1CA2TPMTHDAC8
SCHEMBL2069523 0.83 METAP2 (0.42) METAP2CA1CA2TPMTHDAC8
SCHEMBL75931 0.83 METAP2 (0.42) METAP2CA1CA2TPMTHDAC8
SCHEMBL9926565 0.83 ALDH1A1 (0.38) —
Water SCHEMBL9600843 0.79 METAP2 (0.40) METAP2CA1CA2TPMTHDAC8
Water SCHEMBL9600645 0.79 METAP2 (0.40) METAP2CA1CA2TPMTHDAC8
SCHEMBL18808056 0.77 TDP2 (0.31) —
SCHEMBL13429751 0.75 IDO1 (0.38) METAP2CA1CA2TPMTHDAC8
SCHEMBL1989297 0.73 ESR1 (0.47) METAP2CA1CA2TPMTHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3173456-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT Mitsubishi Chemical Corporation (JP) 2017-05-31 — — EP disclosed
EP-2117062-B1 COMPOSITION FOR ORGANIC DEVICE, POLYMER MEMBRANE AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEM CORP (JP) 2017-01-18 — — EP disclosed
EP-2117062-A1 COMPOSITION FOR ORGANIC DEVICE, POLYMER MEMBRANE AND ORGANIC ELECTROLUMINESCENT DEVICE Mitsubishi Chemical Corporation (JP) 2009-11-11 — — EP disclosed
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