SCHEMBL9613720

SCHEMBL9613720

COc1ccc(NC(=O)C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.70
▸ NPC1 O15118 8/20 0.70
▸ SMN1; SMN2 Q16637 7/20 0.70
▸ MAPT P10636 6/20 0.70
▸ MAPK1 P28482 2/20 0.70
▸ ALDH1A1 P00352 3/20 0.68
▸ MEN1 O00255 5/20 0.63
▸ KMT2A Q03164 5/20 0.63
▸ POLB P06746 1/20 0.61
▸ AKR1C3 P42330 2/20 0.61
▸ AKR1C2 P52895 2/20 0.61
▸ LMNA P02545 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60

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
SCHEMBL9613726 1.00 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL978809 0.88 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL978808 0.88 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL7162798 0.87 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL9368595 0.86 MEN1 (0.67) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL8784838 0.85 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL5524662 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTMAPK1
Oxalic Acid SCHEMBL20984281 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL4812667 0.83 MAPT (0.69) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL7071559 0.82 LMNA (0.76) RAB9ANPC1SMN1; SMN2MAPTMAPK1

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-0520024-A1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1992-12-30 — — EP disclosed
WO-1991013878-A1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-09-19 — — WO disclosed
Send feedback