SCHEMBL9644445

SCHEMBL9644445

Nc1ccccc1C(CO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HRH1 P35367 2/20 0.40
TRPA1 O75762 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
F2 P00734 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL11009762 0.81 HTR2A (0.62) HTR2ATAAR1HRH1CHRNB2CHRNA4
SCHEMBL11706315 0.81 HTR2A (0.45) HTR2ATAAR1HRH1ALDH1A1CYP3A4
SCHEMBL6264184 0.78 GAA (0.52) HTR2ATAAR1SMN1; SMN2LMNAMAPT
SCHEMBL5047637 0.78 LMNA (0.40) ALDH1A1CYP3A4ALOX15SMN1; SMN2CYP1A2
SCHEMBL9326756 0.77 HPGD (0.50) HTR2ATAAR1HRH1TRPA1ALDH1A1
SCHEMBL193835 0.77 HTR2A (0.52) HTR2ATAAR1HRH1TRPA1DPP4
SCHEMBL8588654 0.76 AOC3 (0.43) HTR2ATAAR1HRH1ALDH1A1CYP3A4
SCHEMBL29361993 0.76 CYP3A4 (0.41) ALDH1A1HSD17B10CYP3A4ALOX15CASP1
SCHEMBL3940465 0.76 CYP3A4 (0.41) ALDH1A1HSD17B10CYP3A4ALOX15CASP1
SCHEMBL3940100 0.76 CYP3A4 (0.41) ALDH1A1HSD17B10CYP3A4ALOX15CASP1

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
US-4757152-A Process for producing indoles RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1988-07-12 US claimed
EP-0182256-B1 PROCESS FOR PRODUCING INDOLES RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1992-10-07 EP disclosed
US-4757152-A Process for producing indoles RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1988-07-12 US disclosed
EP-0182256-A2 Process for producing indoles RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1986-05-28 EP disclosed