SCHEMBL21454853

SCHEMBL21454853

CCCC(=O)c1cc2nc(OC)c(OC)nc2s1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 12/20 0.52
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
FASN P49327 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL25855982 0.87 STING1 (0.54) STING1SMN1; SMN2KDM4EHPGD
SCHEMBL21437154 0.87 STING1 (0.68) STING1ALDH1A1HPGDHDAC6L3MBTL1
SCHEMBL24175695 0.86 STING1 (0.53) STING1KDM4E
SCHEMBL21406148 0.83 STING1 (0.52) STING1ALDH1A1KDM4EHDAC6L3MBTL1
SCHEMBL21454711 0.81 STING1 (0.52) STING1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21405827 0.80 STING1 (0.45) STING1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30501004 0.80 STING1 (0.69) STING1
SCHEMBL21437118 0.80 STING1 (0.69) STING1
SCHEMBL30501006 0.80 STING1 (0.69) STING1
SCHEMBL25855984 0.80 STING1 (0.57) STING1NPC1RAB9ASMN1; SMN2ALDH1A1

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-2019195063-A1 AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 WO disclosed