SCHEMBL21416495

SCHEMBL21416495

O=CNc1ccc(C(=O)O)nc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 18/20 0.54
▸ P4HA1 P13674 1/20 0.50
▸ MIF P14174 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4314837 0.81 NPC1 (0.41) P4HTMKDM4EALDH1A1
SCHEMBL19595392 0.80 P4HTM (0.36) P4HTMKDM4EALDH1A1
SCHEMBL3621496 0.79 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL9621696 0.77 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL19264185 0.75 P4HTM (0.48) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL5460611 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL3621493 0.74 P4HTM (0.63) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL69566 0.74 P4HTM (0.63) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL26049197 0.74 P4HTM (0.62) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL31548546 0.74 P4HTM (0.58) P4HTM

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
WO-2019185806-A1 NOVEL ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2019-10-03 — — WO disclosed
EP-3546455-A1 NOVEL ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2019-10-02 — — EP disclosed
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