SCHEMBL16004682

SCHEMBL16004682

Cc1cc(N2CCOCC2)cc2c1Nc1c(C)cc(N3CCCN(C(=O)OC(C)(C)C)CC3)cc1S2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
PIK3CA P42336 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDK2 Q15119 1/20 0.39
IDH1 O75874 1/20 0.39
GAA P10253 1/20 0.39
USP30 Q70CQ3 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKT1 P31749 1/20 0.38
MTOR P42345 1/20 0.38
AKR1C3 P42330 1/20 0.38
EGLN2 Q96KS0 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
SCHEMBL16004706 0.96 SMN1; SMN2 (0.46) SMN1; SMN2USP2MAPTLMNAALDH1A1
SCHEMBL13386221 0.94 SMN1; SMN2 (0.38) SMN1; SMN2USP2MAPTLMNAALDH1A1
Iodide SCHEMBL13386311 0.93 SMN1; SMN2 (0.37) SMN1; SMN2USP2MAPTLMNAALDH1A1
SCHEMBL15875889 0.90 MAPT (0.46) SMN1; SMN2MAPTLMNAALDH1A1GPR119
SCHEMBL15875834 0.90 SMN1; SMN2 (0.40) SMN1; SMN2USP2MAPTLMNAALDH1A1
SCHEMBL2587174 0.84 GPR119 (0.46) SMN1; SMN2MAPTLMNAALDH1A1GPR119
Iodide SCHEMBL9932164 0.83 GPR119 (0.45) SMN1; SMN2MAPTLMNAALDH1A1GPR119
SCHEMBL15875933 0.82 MAPT (0.40) SMN1; SMN2MAPTLMNAALDH1A1GPR119
SCHEMBL13386335 0.82 MAPT (0.43) SMN1; SMN2USP2MAPTLMNAALDH1A1
Iodide SCHEMBL13386315 0.80 PDK2 (0.40) SMN1; SMN2MAPTLMNAALDH1A1GPR119

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-8828986-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-09-09 US claimed