SCHEMBL22136290

SCHEMBL22136290

CCCn1c(NC(=O)c2onc3c2CCCC3)nc2cc(C=O)cc(OC)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 12/20 0.43
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
PKM P14618 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL22136237 0.87 STING1 (0.58) STING1
SCHEMBL22121602 0.79 STING1 (0.57) STING1
SCHEMBL22135940 0.78 STING1 (0.47) STING1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL22136283 0.75 KDM4E (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL19449083 0.75 STING1 (0.56) STING1HTTL3MBTL1
SCHEMBL22150246 0.74 STING1 (0.53) STING1
SCHEMBL19448952 0.74 STING1 (0.75) STING1
SCHEMBL22135941 0.73 MAP3K7 (0.53) STING1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL22135908 0.73 STING1 (0.56) STING1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL22135943 0.72 STING1 (0.49) STING1RAB9ANPC1SMN1; SMN2NFKB1

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-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed