SCHEMBL5749253

SCHEMBL5749253

CCCCCCCCc1ccc2ccc3c[c]cc4ccc1c2c34

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.38
CYP3A4 P08684 3/20 0.38
TYR P14679 2/20 0.38
TP53 P04637 2/20 0.38
ALOX5 P09917 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LIPG Q9Y5X9 1/20 0.36
KCNH2 Q12809 2/20 0.35
TLR8 Q9NR97 7/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5748681 1.00 MEN1 (0.44) MEN1KMT2AMAPTCYP3A4TYR
SCHEMBL5748147 1.00 MEN1 (0.44) MEN1KMT2AMAPTCYP3A4TYR
SCHEMBL2817093 0.88 MEN1 (0.49) MEN1KMT2AMAPTCYP3A4TYR
SCHEMBL2817401 0.88 MEN1 (0.49) MEN1KMT2AMAPTCYP3A4TYR
SCHEMBL2811654 0.88 MEN1 (0.49) MEN1KMT2AMAPTCYP3A4TYR
SCHEMBL30345593 0.85 MEN1 (0.59) MEN1KMT2AMAPTCYP3A4TYR
SCHEMBL9299020 0.85 MEN1 (0.59) MEN1KMT2AMAPTCYP3A4TYR
SCHEMBL9445539 0.85 MEN1 (0.59) MEN1KMT2AMAPTCYP3A4TYR
SCHEMBL4585929 0.85 MEN1 (0.59) MEN1KMT2AMAPTCYP3A4TYR
SCHEMBL9931458 0.85 MEN1 (0.59) MEN1KMT2AMAPTCYP3A4TYR

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