SCHEMBL17320562

SCHEMBL17320562

CCc1cccc(C(=O)N2CCN(I)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
LMNA P02545 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
RECQL P46063 1/20 0.51
MGLL Q99685 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 2/20 0.48
BLM P54132 1/20 0.48
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL14234095 0.92 ALDH1A1 (0.62) TP53ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL13438861 0.87 SMN1; SMN2 (0.58) TP53ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4480468 0.86 SMN1; SMN2 (0.61) TP53ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7901273 0.86 SMN1; SMN2 (0.65) TP53ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL12333479 0.85 MEN1 (0.61) TP53ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4486004 0.85 KMT2A (0.66) TP53ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL10174738 0.85 KMT2A (0.66) TP53ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL27013485 0.83 TP53 (0.51) TP53ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL19605006 0.83 HRH3 (0.59) TP53ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7901271 0.82 RAB9A (0.67) TP53ALDH1A1SMN1; SMN2MEN1KMT2A

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
WO-2015187684-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-10 WO disclosed