SCHEMBL22119002

SCHEMBL22119002

Nc1nc2c(Br)cccc2n1CCCNC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TGM2 P21980 1/20 0.43
BRD4 O60885 1/20 0.43
KEAP1 Q14145 3/20 0.43
NFE2L2 Q16236 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
STING1 Q86WV6 3/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ANPEP P15144 1/20 0.40
MAPT P10636 1/20 0.40
KAT2B Q92831 1/20 0.39
TLR8 Q9NR97 2/20 0.39

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
SCHEMBL22119014 0.85 HTT (0.45) HTTLMNASMN1; SMN2TGM2BRD4
SCHEMBL22118961 0.80 STING1 (0.45) HTTLMNASMN1; SMN2TGM2BRD4
SCHEMBL22118766 0.80 STING1 (0.45) HTTLMNASMN1; SMN2TGM2BRD4
SCHEMBL22119105 0.78 STING1 (0.53) HTTSTING1
SCHEMBL22118965 0.78 TLR8 (0.41) HTTLMNASMN1; SMN2TGM2BRD4
SCHEMBL22118797 0.71 HTT (0.54) HTTLMNASMN1; SMN2TGM2BRD4
SCHEMBL18254066 0.71 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL25140113 0.70 LMNA (0.39) HTTLMNASMN1; SMN2BRD4L3MBTL1
SCHEMBL9874334 0.69 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL15346534 0.69 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1

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-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed