SCHEMBL28684233

SCHEMBL28684233

c1ccc2c(CCNc3nccs3)c[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.61
KMT2A Q03164 3/20 0.55
POLB P06746 1/20 0.55
SLC2A1 P11166 1/20 0.55
RAD52 P43351 1/20 0.55
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
HTR2A P28223 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTR1A P08908 1/20 0.54
MC5R P33032 1/20 0.52
MC3R P41968 1/20 0.52
MC1R Q01726 1/20 0.52
MEN1 O00255 2/20 0.52
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52

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
SCHEMBL6283548 0.82 GLA (0.62) GLAKMT2APOLBALDH1A1HTT
SCHEMBL30579418 0.79 CCNT1 (0.67) KMT2APOLBSLC2A1RAD52ALDH1A1
SCHEMBL1520353 0.78 GLA (0.60) GLAKMT2APOLBALDH1A1HTT
SCHEMBL13774687 0.77 GLA (0.76) GLAKMT2APOLBALDH1A1KDM4E
SCHEMBL13774685 0.76 GLA (1.00) GLAKMT2APOLBALDH1A1HTT
Tryptamine SCHEMBL28542326 0.75 HTR1D (0.68) GLAKMT2AALDH1A1HTTHTR2A
SCHEMBL1520127 0.74 GLA (0.68) GLAKMT2APOLBALDH1A1HTT
SCHEMBL28384834 0.74 HTR2A (0.66) KMT2APOLBSLC2A1RAD52ALDH1A1
SCHEMBL6599683 0.74 HTR2A (0.71) KMT2APOLBSLC2A1RAD52ALDH1A1
Cyanide SCHEMBL28569410 0.74 HTR2A (0.54) KMT2APOLBSLC2A1RAD52ALDH1A1

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
CN-110204538-B Aryl thiazole-tryptamine ocean red tide algae algicide and preparation method and application thereof 烟台大学 2022-02-08 CN disclosed