SCHEMBL21387797

SCHEMBL21387797

C=C(C#Cc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
HSP90AA1 P07900 3/20 0.70
MAPT P10636 3/20 0.70
NPSR1 Q6W5P4 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
OPRK1 P41145 2/20 0.70
HTT P42858 2/20 0.54
MITF O75030 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CES1 P23141 2/20 0.51
CES2 O00748 1/20 0.51
S1PR2 O95136 1/20 0.50
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
HSD11B1 P28845 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 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
SCHEMBL23613437 0.83 ALDH1A1 (1.00) ALDH1A1HSP90AA1MAPTNPSR1MEN1
SCHEMBL6680904 0.79 APP (0.48) ALDH1A1HSP90AA1MAPTNPSR1MEN1
SCHEMBL8837164 0.78 ALDH1A1 (0.69) ALDH1A1HSP90AA1MAPTNPSR1MEN1
SCHEMBL7803648 0.77 CASP3 (0.66) ALDH1A1HSP90AA1MAPTNPSR1MEN1
SCHEMBL28634788 0.76 ALDH1A1 (0.88) ALDH1A1HSP90AA1MAPTNPSR1MEN1
SCHEMBL10887019 0.74 CES1 (0.69) ALDH1A1HSP90AA1MAPTNPSR1MEN1
SCHEMBL9555263 0.74 CES1 (0.55) ALDH1A1HSP90AA1MAPTNPSR1MEN1
SCHEMBL29410421 0.73 CES1 (0.53) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL1982414 0.73 ALDH1A1 (0.63) ALDH1A1HSP90AA1MAPTNPSR1MEN1
SCHEMBL28674642 0.73 ALDH1A1 (0.62) ALDH1A1HSP90AA1MAPTNPSR1MEN1

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-3542824-A1 Ras PROTEIN DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION Tokyo University of Science Foundation (JP) 2019-09-25 EP disclosed