SCHEMBL2587174

SCHEMBL2587174

Cc1cccc2c1Nc1c(C)cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc1S2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
PDK2 Q15119 1/20 0.44
NAMPT P43490 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 1/20 0.40
PIK3CA P42336 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
TSHR P16473 1/20 0.40
CCNK O75909 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
DDB1 Q16531 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
Iodide SCHEMBL9932164 0.99 GPR119 (0.45) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL15875889 0.94 MAPT (0.46) GPR119MAPTALDH1A1LMNAPDK2
Iodide SCHEMBL9933682 0.90 GPR119 (0.42) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL16004706 0.88 SMN1; SMN2 (0.46) GPR119MAPTALDH1A1LMNAPDK2
Iodide SCHEMBL13386315 0.87 PDK2 (0.40) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL15875933 0.86 MAPT (0.40) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL2592117 0.85 ALDH1A1 (0.47) MAPTALDH1A1PDK2MEN1KMT2A
SCHEMBL16004682 0.84 SMN1; SMN2 (0.43) GPR119MAPTALDH1A1LMNAPDK2
Iodide SCHEMBL9932942 0.84 ALDH1A1 (0.46) MAPTALDH1A1PDK2MEN1KMT2A
SCHEMBL15875834 0.82 SMN1; SMN2 (0.40) GPR119MAPTALDH1A1LMNAMEN1

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
EP-2585073-A1 ANTIVIRAL COMPOUNDS Prostetta Antiviral Inc. (US) 2013-05-01 EP disclosed
WO-2011137447-A1 ANTIVIRAL COMPOUNDS PROSTETTA ANTIVIRAL INC. (US) 2011-11-03 WO disclosed