SCHEMBL9251209

SCHEMBL9251209

CC(=O)c1ccc(O)cc1/N=N/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PTPN11 Q06124 5/20 0.45
PLAU P00749 1/20 0.43
CES2 O00748 2/20 0.42
ACHE P22303 2/20 0.42
CES1 P23141 2/20 0.42
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CCNT1 O60563 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40

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
SCHEMBL9506778 0.81 PTPN11 (0.52) NPC1RAB9APTPN11PLAUCES2
SCHEMBL9506785 0.81 PTPN11 (0.52) NPC1RAB9APTPN11PLAUCES2
SCHEMBL8081716 0.79 MEN1 (0.60) NPC1RAB9APTPN11PLAUCYP1A2
SCHEMBL9177007 0.79 MEN1 (0.60) NPC1RAB9APTPN11PLAUCYP1A2
SCHEMBL2327506 0.76 BACE1 (0.45) CES2HPGDALDH1A1MAPTNPSR1
SCHEMBL9152781 0.76 CA1 (0.52) NPC1RAB9APTPN11PLAUCES2
SCHEMBL9152771 0.76 CA1 (0.52) NPC1RAB9APTPN11PLAUCES2
SCHEMBL11217415 0.75 IDE (0.53) NPC1RAB9APTPN11PLAUCYP1A2
SCHEMBL24213305 0.73 NPC1 (0.59) NPC1RAB9APTPN11PLAUCES2
SCHEMBL5838349 0.73 NPC1 (0.59) NPC1RAB9APTPN11PLAUCES2

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-0625971-A4 UV LIGHT STABILIZING, ANTIOXIDANT AND COLORANT COMPOUNDS. 1995-01-04 EP disclosed
EP-0625971-A1 UV LIGHT STABILIZING, ANTIOXIDANT AND COLORANT COMPOUNDS HOECHST CELANESE CORPORATION (US) 1994-11-30 EP disclosed
WO-1993015063-A1 UV LIGHT STABILIZING, ANTIOXIDANT AND COLORANT COMPOUNDS HOECHST CELANESE CORPORATION (US) 1993-08-05 WO disclosed