SCHEMBL16456595

SCHEMBL16456595

Cc1ccc(-c2ccno2)cc1-c1ccc(NC(=O)Oc2snnc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ KCNJ1 P48048 1/20 0.34
▸ IL2 P60568 5/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PORCN Q9H237 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL17435133 0.84 IL2 (0.40) IL2PIK3CDPIK3CBPIK3CGPORCN
SCHEMBL8263238 0.83 LMNA (0.51) MAPK14POLBKMT2AMEN1GAA
SCHEMBL16456528 0.81 ABL1 (0.42) MAPK14PORCN
SCHEMBL16456523 0.81 PORCN (0.52) KMT2AMEN1PIK3CGPORCNCYP3A4
SCHEMBL16456582 0.81 MAPK14 (0.43) MAPK14POLBMAPTPORCN
SCHEMBL17435130 0.77 STIM1 (0.36) KMT2AIL2PORCNCYP3A4AAK1
SCHEMBL16456511 0.74 IMPDH2 (0.44) AAK1
SCHEMBL450074 0.73 IL2 (0.42) POLBIL2PIK3CDPIK3CBPIK3CG
SCHEMBL2785171 0.73 CYP3A4 (0.41) POLBKMT2AIL2MEN1MAPT
SCHEMBL2787427 0.72 STIM1 (0.48) POLBKMT2AMEN1MAPTGAA

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
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 — — EP claimed
Send feedback