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Sugi Predict / Compounds / SCHEMBL17844392

SCHEMBL17844392

SCHEMBL17844392

O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCOCC1.O=C(O)CCN(C1(C(=O)NO)CCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 20/20 0.77
▸ MMP13 P45452 19/20 0.69
▸ MMP2 P08253 1/20 0.69
▸ MMP3 P08254 1/20 0.69
▸ MMP9 P14780 1/20 0.69
▸ MMP8 P22894 1/20 0.69
▸ MMP12 P39900 1/20 0.69
▸ MMP14 P50281 1/20 0.69

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
SCHEMBL26434 0.89 MMP1 (0.83) MMP1MMP13MMP2MMP3MMP9
SCHEMBL26986 0.88 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL25130 0.86 MMP1 (0.96) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6813051 0.85 MMP1 (0.94) MMP1MMP13MMP2MMP3MMP9
SCHEMBL25304 0.83 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6873149 0.82 MMP1 (0.70) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7352297 0.81 MMP1 (0.68) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6699509 0.81 MMP1 (0.84) MMP1MMP13MMP2MMP3MMP9
SCHEMBL5413107 0.80 MMP1 (0.68) MMP1MMP13MMP2MMP3MMP9
SCHEMBL3987272 0.80 MMP1 (0.68) MMP1MMP13MMP2MMP3MMP9

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-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 — — EP disclosed
EP-3233829-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS Pfizer Inc (US) 2017-10-25 — — EP disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 — — WO disclosed