SCHEMBL9872191

SCHEMBL9872191

COC(=O)C(=O)Nc1nnc2c3c(c(N4CCCCC4)nn12)CCCC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 3/20 0.36
USP2 O75604 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HIF1A Q16665 2/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RCE1 Q9Y256 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL9870642 0.89 LMNA (0.44) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL8793570 0.88 LMNA (0.45) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL9871084 0.86 APP (0.37) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL9871963 0.83 HTT (0.40) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL9870774 0.76 ACHE (0.40) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL9871188 0.73 KDM4E (0.37) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL10964096 0.72 SMN1; SMN2 (0.39) ALDH1A1GAAPOLBUSP2NPSR1
SCHEMBL8792583 0.70 HTT (0.51) POLBHSD17B10HTTTDP1KMT2A
SCHEMBL9872358 0.69 ALDH1A1 (0.36) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL9872179 0.69 MAPT (0.33) MAPTKDM4EALDH1A1HPGDGAA

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
US-5011835-A Substituted triazolopyridazines, pharmaceutical compositions and use MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-30 US disclosed