SCHEMBL17801067

SCHEMBL17801067

O=C(O)N1CCC(c2nc(-c3ccc4[nH]nc(Br)c4c3)n[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 11/20 0.46
TLR8 Q9NR97 11/20 0.46
TLR7 Q9NYK1 11/20 0.46
MGLL Q99685 1/20 0.41
USP30 Q70CQ3 4/20 0.41
HTR2B P41595 1/20 0.38
KIT P10721 1/20 0.38
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37

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
SCHEMBL15240650 0.89 HSD11B1 (0.47) TLR9TLR8TLR7MGLLUSP30
SCHEMBL17801068 0.86 HTT (0.47) TLR9TLR8TLR7
SCHEMBL17801024 0.82 FASN (0.46) TLR9TLR8TLR7USP30CPT2
SCHEMBL17801083 0.82 HPGDS (0.45) TLR9TLR8TLR7
SCHEMBL12231361 0.78 USP30 (0.58) MGLLUSP30HTR2B
SCHEMBL2731621 0.78 HPGDS (0.46) TLR9TLR8TLR7USP30
SCHEMBL2731625 0.78 HPGDS (0.46) TLR9TLR8TLR7USP30
SCHEMBL12231269 0.78 KIT (0.52) MGLLUSP30HTR2BKIT
SCHEMBL17801043 0.70 GPR119 (0.48) TLR9TLR8TLR7
SCHEMBL12231359 0.69 CPT1A (0.54) MGLLUSP30HTR2BCPT2CPT1A

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-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed