SCHEMBL9358104

SCHEMBL9358104

CCN(CC)c1ccc(C=C[N+](=O)[O-])cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.65
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 3/20 0.60
SYK P43405 2/20 0.60
MAPK1 P28482 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
EGFR P00533 2/20 0.60
GALR2 O43603 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
FBP1 P09467 4/20 0.50
ALDH3A1 P30838 1/20 0.47
HSP90AA1 P07900 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
NSD2 O96028 1/20 0.47

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
SCHEMBL9357736 0.85 VCP (0.64) VCPALDH1A1LMNAMAPTSYK
SCHEMBL9361866 0.82 ALDH1A1 (0.61) VCPALDH1A1LMNAMAPTSYK
SCHEMBL9357876 0.81 ALDH1A1 (0.60) VCPALDH1A1LMNAMAPTSYK
SCHEMBL7455580 0.81 ALDH1A1 (0.60) VCPALDH1A1LMNAMAPTSYK
SCHEMBL8591188 0.81 ALDH1A1 (0.60) VCPALDH1A1LMNAMAPTSYK
SCHEMBL807768 0.79 VCP (1.00) VCPALDH1A1LMNAMAPTSYK
SCHEMBL793160 0.79 VCP (1.00) VCPALDH1A1LMNAMAPTSYK
SCHEMBL29727003 0.79 VCP (1.00) VCPALDH1A1LMNAMAPTSYK
SCHEMBL28863042 0.78 VCP (0.97) VCPALDH1A1LMNAMAPTSYK
SCHEMBL4808158 0.78 ALDH1A3 (0.61) ALDH1A1LMNAMAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999139-A Aminonitrostyrene Compound; Including a Polarizer, an Optical Resonator an a Reflector NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1991-03-12 US claimed
EP-0326133-B1 Organic nonlinear optical material and nonlinear optical device NIPPON TELEGRAPH & TELEPHONE (JP) 1994-12-07 EP disclosed
US-4999139-A Aminonitrostyrene Compound; Including a Polarizer, an Optical Resonator an a Reflector NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1991-03-12 US disclosed
US-4997595-A Organic nonlinear optical material and nonlinear optical device NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1991-03-05 US disclosed
EP-0326133-A2 Organic nonlinear optical material and nonlinear optical device NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1989-08-02 EP disclosed