SCHEMBL10480100

SCHEMBL10480100

O=C(Nc1cccc2cccc(O)c12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.72
DUSP3 P51452 2/20 0.62
PTPN5 P54829 2/20 0.62
PTPN11 Q06124 2/20 0.62
KDR P35968 1/20 0.62
CASP6 P55212 1/20 0.62
CD40 P25942 1/20 0.60
CD40LG P29965 1/20 0.60
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
PARP1 P09874 1/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
PABPC1 P11940 1/20 0.54
EIF4H Q15056 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
RAB9A P51151 3/20 0.53
ACHE P22303 1/20 0.53
ALOX5 P09917 1/20 0.52
CASP3 P42574 1/20 0.52

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
SCHEMBL28734353 0.84 NPC1 (1.00) NPC1DUSP3PTPN5PTPN11KDR
SCHEMBL11434114 0.82 APEX1 (0.60) NPC1DUSP3PTPN5PTPN11KDR
SCHEMBL11442255 0.82 APEX1 (0.60) NPC1DUSP3PTPN5PTPN11KDR
SCHEMBL10398604 0.82 NPC1 (0.74) NPC1DUSP3PTPN5PTPN11KDR
SCHEMBL19021105 0.82 CD40 (0.65) NPC1DUSP3PTPN5PTPN11KDR
SCHEMBL9400487 0.81 NPC1 (0.63) NPC1KDRMAPTPARP1MEN1
SCHEMBL11433131 0.81 CD40 (0.69) NPC1DUSP3PTPN5PTPN11KDR
SCHEMBL9232842 0.81 ALOX5 (0.78) NPC1DUSP3PTPN5PTPN11KDR
SCHEMBL8337442 0.80 NPC1 (0.80) NPC1DUSP3PTPN5PTPN11KDR
SCHEMBL19021224 0.79 CD40 (0.92) NPC1DUSP3PTPN5PTPN11KDR

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
US-4808706-A WET- AND LIGHFAST; SOLUBLE CIBA-GEIGY CORPORATION (US) 1989-02-28 US disclosed