SCHEMBL17787680

SCHEMBL17787680

O=C(Nc1cccc(OC[C@@H](O)CO)c1)c1cc(F)cc2[nH]c(-c3ccccc3C(F)F)nc12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PTGES O14684 1/20 0.36

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
SCHEMBL1890146 1.00 DHODH (0.39) DHODHPARP1PTGES
SCHEMBL1890148 1.00 DHODH (0.39) DHODHPARP1PTGES
SCHEMBL12662490 0.91 DHODH (0.40) DHODHPARP1
SCHEMBL13551092 0.91 DHODH (0.40) DHODHPARP1
SCHEMBL12662505 0.89 PRMT5 (0.38) —
SCHEMBL12662506 0.89 PRMT5 (0.38) —
SCHEMBL13551097 0.87 DHODH (0.39) DHODH
SCHEMBL13551098 0.87 DHODH (0.39) DHODH
SCHEMBL13551088 0.87 DHODH (0.39) DHODH
SCHEMBL13551087 0.87 DHODH (0.39) DHODH

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
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 — — EP disclosed
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