SCHEMBL9450404

SCHEMBL9450404

C=CCN(CC=C)c1cccc2c(N(CC=C)CC=C)cccc12.C=CCN(CC=C)c1cccc2c(N(CC=C)CC=C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALOX5 P09917 1/20 0.36
C5AR1 P21730 1/20 0.35
GAA P10253 1/20 0.34
OPRK1 P41145 3/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR1E P28566 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL9160128 1.00 ALDH1A1 (0.37) ALDH1A1LMNAHTTALOX5C5AR1
SCHEMBL9158117 0.90 ALDH1A1 (0.48) ALDH1A1LMNAHTTALOX5C5AR1
SCHEMBL19288030 0.90 ALDH1A1 (0.38) ALDH1A1LMNAHTTALOX5C5AR1
SCHEMBL4557934 0.88 ALDH1A1 (0.46) ALDH1A1LMNAHTTALOX5SIGMAR1
SCHEMBL9156964 0.83 KMT2A (0.35) ALDH1A1LMNAHTTALOX5GAA
SCHEMBL8911526 0.80
SCHEMBL17629031 0.79 ALDH1A1 (0.38) ALDH1A1LMNAHTTALOX5C5AR1
SCHEMBL1509676 0.78 KDM4E (0.45) ALDH1A1C5AR1GAAOPRK1SLC6A2
SCHEMBL9757638 0.78 OPRM1 (0.34) ALDH1A1LMNAOPRK1OPRM1OPRD1
SCHEMBL1509825 0.77 KDM4E (0.39) ALDH1A1C5AR1GAAOPRK1OPRM1

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
US-5198134-A Antioxidants for lubricants CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed