SCHEMBL7712792

SCHEMBL7712792

O=C(O)COc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.55
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
LMNA P02545 1/20 0.52
PLA2G4B P0C869 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGS2 P35354 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP14 P50281 1/20 0.50
MAPT P10636 2/20 0.49
MAOB P27338 1/20 0.49
AOC3 Q16853 1/20 0.49

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
SCHEMBL7712788 1.00 PPARD (0.55) PPARDALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL656493 0.91 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2CYP2C9CYP2C19LMNA
Hydrochloric Acid SCHEMBL11838297 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL8769923 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL8769925 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CYP2C9CYP2C19LMNA
Water SCHEMBL8769949 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL9188689 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL13758756 0.85 KMT2A (0.46) PPARDALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL17141840 0.83 PLA2G4B (0.59) ALDH1A1SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL38773 0.83 SRD5A2 (0.63) ALDH1A1SMN1; SMN2CYP2C9CYP2C19LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828709-B1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS OPTILINK AB (SE) 2002-09-18 EP disclosed
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 US disclosed
EP-0828709-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS FORSKNINGSCENTER RISO (DK) 1998-03-18 EP disclosed
WO-1996038410-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS Forskningscenter Risø (DK) 1996-12-05 WO disclosed