SCHEMBL9357724

SCHEMBL9357724

CCN(CC)c1ccc(C=C[N+](=O)[O-])cc1NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
ALDH3A1 P30838 1/20 0.43
VCP P55072 4/20 0.43
EGFR P00533 3/20 0.43
ABL1 P00519 1/20 0.43
ABL2 P42684 1/20 0.43
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
S1PR4 O95977 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL9362009 0.80 ALDH1A3 (0.55) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9357736 0.78 VCP (0.64) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9358130 0.78 MAPT (0.52) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9361866 0.78 ALDH1A1 (0.61) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL8591188 0.77 ALDH1A1 (0.60) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9357876 0.77 ALDH1A1 (0.60) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL7455580 0.77 ALDH1A1 (0.60) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9358104 0.74 VCP (0.65) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL11443217 0.72 ALDH1A1 (0.42) ALDH1A1MAPTHTTNPSR1NPC1
SCHEMBL8634653 0.71 FBP1 (0.56) LMNAALDH1A1MAPTMEN1KMT2A

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-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