SCHEMBL4333642

SCHEMBL4333642

COC(=O)CN(C)C(=O)c1cc(C)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ HTT P42858 3/20 0.43
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 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
SCHEMBL28575301 0.81 ATM (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL29676432 0.81 ATM (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL22123120 0.80 ALDH1A1 (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL14904774 0.76 CRHBP (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12604704 0.75 PDGFRB (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4333646 0.74 HTT (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL3034317 0.71 MAPT (0.53) KMT2AALDH1A1MEN1GAAMAPK1
SCHEMBL28583372 0.71 MAPT (0.45) KMT2AALDH1A1GAAMAPK1LMNA
SCHEMBL19354405 0.71 PDGFRB (0.76) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13468195 0.71 KMT2A (0.58) KMT2AALDH1A1MEN1L3MBTL1GAA

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
WO-2009145357-A1 IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-03 — — WO disclosed
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