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Sugi Predict / Compounds / SCHEMBL15463558

SCHEMBL15463558

SCHEMBL15463558

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCN(C(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 15/20 0.47
▸ UBE2M P61081 2/20 0.47
▸ DCUN1D1 Q96GG9 2/20 0.47
▸ CXCR3 P49682 2/20 0.46
▸ USP30 Q70CQ3 1/20 0.43

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
SCHEMBL15397581 1.00 EPHX2 (0.47) EPHX2UBE2MDCUN1D1CXCR3USP30
SCHEMBL15397582 1.00 EPHX2 (0.47) EPHX2UBE2MDCUN1D1CXCR3USP30
SCHEMBL15397519 0.94 UBE2M (0.46) EPHX2UBE2MDCUN1D1CXCR3
SCHEMBL15397484 0.94 UBE2M (0.46) EPHX2UBE2MDCUN1D1CXCR3
SCHEMBL15397520 0.94 UBE2M (0.46) EPHX2UBE2MDCUN1D1CXCR3
SCHEMBL15397658 0.94 UBE2M (0.46) EPHX2UBE2MDCUN1D1CXCR3
SCHEMBL15397558 0.94 UBE2M (0.52) EPHX2UBE2MDCUN1D1CXCR3
SCHEMBL15397662 0.93 UBE2M (0.46) EPHX2UBE2MDCUN1D1CXCR3
SCHEMBL15397689 0.93 RHOC (0.51) EPHX2UBE2MDCUN1D1CXCR3
SCHEMBL15397690 0.93 RHOC (0.51) EPHX2UBE2MDCUN1D1CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 — — EP disclosed