SCHEMBL9364776

SCHEMBL9364776

N#CC(=CC=Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
APP P05067 1/20 0.54
MCL1 Q07820 2/20 0.51
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 1/20 0.47
MAOB P27338 2/20 0.47
BCHE P06276 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
FBP1 P09467 1/20 0.45
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL9364774 1.00 MAPT (0.56) MAPTKDM4EALDH1A1SMN1; SMN2APP
SCHEMBL9362086 0.94 APP (0.59) MAPTKDM4EALDH1A1SMN1; SMN2APP
SCHEMBL9362093 0.94 APP (0.59) MAPTKDM4EALDH1A1SMN1; SMN2APP
SCHEMBL9508065 0.86 MCL1 (0.65) MAPTKDM4EALDH1A1SMN1; SMN2APP
SCHEMBL4479985 0.82 MAPT (0.56) MAPTKDM4EALDH1A1SMN1; SMN2APP
SCHEMBL6029000 0.82 MAPT (0.56) MAPTKDM4EALDH1A1SMN1; SMN2APP
SCHEMBL9365093 0.82 MAOB (0.46) MAPTKDM4EALDH1A1SMN1; SMN2MCL1
SCHEMBL6028998 0.82 MAPT (0.56) MAPTKDM4EALDH1A1SMN1; SMN2APP
SCHEMBL9365096 0.82 MAOB (0.46) MAPTKDM4EALDH1A1SMN1; SMN2MCL1
SCHEMBL4479980 0.82 MAPT (0.56) MAPTKDM4EALDH1A1SMN1; SMN2APP

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-0335641-B1 Organic nonlinear optical substance TEIJIN LTD (JP) 1994-01-05 EP disclosed
US-5196147-A Optical crystals TEIJIN LIMITED (JP) 1993-03-23 US disclosed
EP-0335641-A2 Organic nonlinear optical substance TEIJIN LIMITED (JP) 1989-10-04 EP disclosed