SCHEMBL5748831

SCHEMBL5748831

CCCCCCCCCCc1ccc2cc3ccc(N)cc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
TLR8 Q9NR97 6/20 0.48
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP3A4 P08684 2/20 0.46
HIF1A Q16665 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HBB P68871 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5745979 1.00 HTR2A (0.53) HTR2ATLR8ALDH1A1HSD17B10CYP3A4
SCHEMBL5750808 1.00 HTR2A (0.53) HTR2ATLR8ALDH1A1HSD17B10CYP3A4
SCHEMBL5749915 1.00 HTR2A (0.53) HTR2ATLR8ALDH1A1HSD17B10CYP3A4
SCHEMBL5748730 1.00 HTR2A (0.53) HTR2ATLR8ALDH1A1HSD17B10CYP3A4
SCHEMBL5747852 1.00 HTR2A (0.53) HTR2ATLR8ALDH1A1HSD17B10CYP3A4
SCHEMBL11788025 0.95 HTR2A (0.55) HTR2ATLR8ALDH1A1HSD17B10CYP3A4
SCHEMBL4553164 0.95 HTR2A (0.53) HTR2ATLR8ALDH1A1HSD17B10CYP3A4
SCHEMBL3720679 0.89 PTGS2 (0.53) HTR2AALDH1A1HSD17B10CYP3A4HIF1A
SCHEMBL21240657 0.89 PTGS2 (0.53) HTR2AALDH1A1HSD17B10CYP3A4HIF1A
SCHEMBL3721391 0.89 PTGS2 (0.53) HTR2AALDH1A1HSD17B10CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed