SCHEMBL10195422

SCHEMBL10195422

CC(C)(C)OC(=O)Nc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1C(=N)I

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
THRB P10828 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PDE4B Q07343 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
WNT3A P56704 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
GPR119 Q8TDV5 2/20 0.41

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
SCHEMBL3315978 0.83 PDE4B (0.59) NAMPTMAPTTP53THRBKDM4E
SCHEMBL12478772 0.83 NAMPT (0.53) NAMPTMAPTTHRBKDM4EPTPN2
SCHEMBL22860327 0.78 PTPN2 (0.49) MAPTPTPN2PTPN1PTPN6NPC1
SCHEMBL2830416 0.75 NAMPT (0.59) NAMPTMAPTKDM4EPTPN2PTPN1
SCHEMBL18535060 0.75 RXFP1 (0.42) MAPTNPC1RAB9AKMT2APOLB
SCHEMBL10194877 0.75 HPGD (0.44) MAPTTP53KMT2APOLBMEN1
SCHEMBL12479659 0.74 PDE4B (0.51) NAMPTPDE4B
SCHEMBL12479648 0.74 USP30 (0.44) NAMPTPDE4BDDB1CRBNNPC1
SCHEMBL29181014 0.74 NAMPT (0.52) NAMPTMAPTTP53THRBKDM4E
SCHEMBL30736670 0.74 EPHX2 (0.49) NAMPTMAPTTHRBKDM4EPTPN2

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-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed