SCHEMBL9847271

SCHEMBL9847271

CCCCC(C)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
CXCR4 P61073 2/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
APP P05067 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
FBP1 P09467 1/20 0.42
GAA P10253 1/20 0.42
PTGS1 P23219 2/20 0.42
CYP19A1 P11511 2/20 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
SCHEMBL9847255 0.88 PTGS2 (0.49) PTGS2MAPTLMNARAB9AMEN1
SCHEMBL8748693 0.88 MAPT (0.50) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9847340 0.86 ALDH1A1 (0.53) PTGS2MAPTLMNARAB9AMEN1
SCHEMBL9847264 0.86 PTGS2 (0.47) PTGS2MAPTLMNARAB9AMEN1
SCHEMBL9847310 0.85 PTGS2 (0.46) PTGS2MAPTLMNARAB9AMEN1
SCHEMBL8116858 0.78 ALDH1A1 (0.49) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL7167102 0.77 CXCR4 (0.49) CXCR4MAPTRAB9AALDH1A1RECQL
SCHEMBL11615334 0.77 MAPT (0.54) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL28142388 0.77 ALDH1A1 (0.64) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL8114849 0.76 ALDH1A1 (0.46) MAPTLMNAMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0406888-A2 Nonlinear optical polymer composition and method for producing the same SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed