SCHEMBL5748693

SCHEMBL5748693

CCCCCCc1ccnc(Nc2ccc3ccccc3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.41
TRPV1 Q8NER1 4/20 0.41
NCF1 P14598 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
RIOK2 Q9BVS4 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL5748565 0.82 ALOX12 (0.45) KDM4ESMN1; SMN2HTTALDH1A1GAA
SCHEMBL5747136 0.81 RIOK2 (0.46) TRPV1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5746464 0.81 TRPV1 (0.57) TRPV1RAB9AHSD17B10
SCHEMBL5773999 0.81 RIOK2 (0.42) TRPV1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5777222 0.81 RIOK2 (0.42) TRPV1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5771528 0.81 RIOK2 (0.42) TRPV1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5749197 0.79 KCNH3 (0.44) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL5750951 0.79 KCNH3 (0.44) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL5748767 0.79 KCNH3 (0.44) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL5914010 0.79 MAPT (0.43) TRPV1KDM4ERIOK2

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