SCHEMBL5751135

SCHEMBL5751135

CCc1c2ccccc2c(N)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
GLA P06280 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL15213457 0.88 ACHE (0.37) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29853674 0.87 TP53 (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2317562 0.87 TP53 (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL11765896 0.86 ACHE (0.35) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3670998 0.86 ACHE (0.35) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18963321 0.80 HTR2A (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL7918982 0.78 TP53 (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8821847 0.78 TP53 (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1408684 0.78 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL28656251 0.78 PKM (0.39) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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