SCHEMBL15875889

SCHEMBL15875889

Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc2c1Nc1c(C)cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc1S2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GPR119 Q8TDV5 6/20 0.44
PDK2 Q15119 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
NAMPT P43490 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
PIK3CA P42336 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL2587174 0.94 GPR119 (0.46) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL16004706 0.94 SMN1; SMN2 (0.46) MAPTALDH1A1LMNAGPR119PDK2
Iodide SCHEMBL9932164 0.93 GPR119 (0.45) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL15875933 0.92 MAPT (0.40) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL16004682 0.90 SMN1; SMN2 (0.43) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL15875834 0.87 SMN1; SMN2 (0.40) MAPTALDH1A1LMNAGPR119MEN1
SCHEMBL15875911 0.85 ALDH1A1 (0.36) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL13386221 0.84 SMN1; SMN2 (0.38) MAPTALDH1A1LMNAGPR119PDK2
Iodide SCHEMBL9933682 0.84 GPR119 (0.42) MAPTALDH1A1LMNAGPR119PDK2
Iodide SCHEMBL13386311 0.84 SMN1; SMN2 (0.37) MAPTALDH1A1LMNAGPR119PDK2

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-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 US claimed