SCHEMBL17844169

SCHEMBL17844169

CC(C)(C)n1sc(-c2ccccc2)c(NCCCOc2cccc(F)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HRH2 P25021 4/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
MAOB P27338 1/20 0.35
HTR7 P34969 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KDM1A O60341 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
RAD52 P43351 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
SCHEMBL17844212 0.90 MTNR1A (0.42) DRD2DRD4KDM4EKMT2AMEN1
SCHEMBL17844232 0.90 DRD2 (0.44) HRH2HDAC1HDAC2DRD2DRD4
SCHEMBL17844246 0.89 HCRTR1 (0.39) HCRTR1HCRTR2HDAC1HDAC2HTR7
SCHEMBL17844230 0.88 DRD2 (0.46) HRH2DRD2DRD4KDM4EGPR84
SCHEMBL5186747 0.87 PTPN2 (0.37) HDAC1HDAC2DRD2DRD4GPR84
SCHEMBL17844247 0.86 HTR1B (0.39) DRD2DRD4KDM4EGPR84KMT2A
SCHEMBL17844178 0.83 DRD4 (0.43) DRD2DRD4KDM4EGPR84KMT2A
SCHEMBL17844214 0.82 CHRNB2 (0.44) KDM4E
SCHEMBL5185121 0.82 GPR84 (0.35) GPR84KMT2AMEN1
SCHEMBL17844180 0.81 KDM4E (0.37) KDM4EKMT2AMEN1POLB

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed