Sugi Predict

Sugi Predict / Compounds / SCHEMBL3731361

SCHEMBL3731361

SCHEMBL3731361

COC(=O)c1cc2cc(COC(C)=O)cc([N+](=O)[O-])c2[nH]1.COC(=O)c1cc2cc(COC(C)=O)cc([N+](=O)[O-])c2n1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.49
▸ FBP1 P09467 4/20 0.38
▸ HRH4 Q9H3N8 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL1278068 0.91 XDH (0.33) XDHNPC1MAPTRAB9A
SCHEMBL3720400 0.87 ALDH1A1 (0.32) XDH
SCHEMBL3727035 0.86 XDH (0.49) XDHFBP1HRH4NPC1MAPT
SCHEMBL1278006 0.83 XDH (0.66) XDHFBP1HRH4NPC1MAPT
SCHEMBL15015037 0.79 XDH (0.35) XDHNPC1MAPTRAB9A
SCHEMBL1278051 0.79 XDH (0.35) XDHNPC1MAPTRAB9A
SCHEMBL3733383 0.76 MAPT (0.35) XDHNPC1MAPTRAB9A
SCHEMBL1277887 0.76 NR1H2 (0.37) XDHNPC1MAPTRAB9A
SCHEMBL13103284 0.74 NR1H2 (0.32) —
SCHEMBL3027251 0.72 MEN1 (0.48) MAPK1RAB9A

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-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 — — EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 — — WO disclosed