SCHEMBL4687948

SCHEMBL4687948

COC(=O)C(NC(=O)c1ccc([N+](=O)[O-])cc1)P(=O)(OC)OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 8/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ POLB P06746 2/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL31530471 0.81 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL711351 0.80 GAA (0.52) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL4488971 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4688813 0.77 ALDH1A1 (0.44) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL2821798 0.77 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2821802 0.77 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL11394788 0.76 GAA (0.47) RAB9AMAPTHTTALDH1A1MAPK1
SCHEMBL8226861 0.76 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL8226815 0.75 MAPT (0.50) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL13302673 0.75 TAS1R3 (0.63) RAB9ANPC1SMN1; SMN2TP53

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-1581496-A4 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES INC (US) 2008-04-23 — — EP disclosed
EP-1581496-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2005-10-05 — — EP disclosed
WO-2004050613-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2004-06-17 — — WO disclosed
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