SCHEMBL5884486

SCHEMBL5884486

OCCCCCNc1ccc(Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
IL1B P01584 2/20 0.41
TNF P01375 1/20 0.41
NLRP3 Q96P20 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
KCNH3 Q9ULD8 2/20 0.40
KDM4D Q6B0I6 1/20 0.39
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
NUDT1 P36639 1/20 0.38

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
SCHEMBL11731340 0.93 MAPT (0.48) MAPTALDH1A1GAAIL1BTNF
SCHEMBL1852259 0.85 IL1B (0.53) MAPTALDH1A1GAAIL1BTNF
SCHEMBL3641438 0.79 MAPT (0.48) MAPTALDH1A1GAAHTR1AHTR1D
SCHEMBL6861106 0.79 MAPT (0.52) MAPTALDH1A1GAAHTR1AHTR1D
SCHEMBL18990020 0.76 MAPT (0.46) MAPTALDH1A1GAAIL1BTNF
SCHEMBL6702206 0.74 MAPT (0.55) MAPTALDH1A1GAAIL1BTNF
SCHEMBL5756006 0.72 IL1B (0.53) ALDH1A1GAAIL1BTNFNLRP3
SCHEMBL5676891 0.72 MAPT (0.49) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL5884495 0.71 ALDH1A1 (0.43) MAPTALDH1A1GAAHTR1AHTR1D
SCHEMBL11726472 0.71 MAPT (0.44) MAPTALDH1A1GAAIL1BTNF

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-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US disclosed