SCHEMBL22136125

SCHEMBL22136125

CN(Cc1ccccc1)C(=O)NCCCn1c(NC(=O)c2onc3c2CCCC3)nc2cc(C(N)=O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 13/20 0.47
TBK1 Q9UHD2 1/20 0.43
EHMT2 Q96KQ7 2/20 0.43
EHMT1 Q9H9B1 1/20 0.43
ITK Q08881 4/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
USP7 Q93009 1/20 0.40

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
SCHEMBL22135934 0.84 STING1 (0.53) STING1TBK1EHMT2EHMT1ITK
SCHEMBL22135908 0.82 STING1 (0.56) STING1TBK1ITKCYP2C19
SCHEMBL22136253 0.80 STING1 (0.50) STING1TBK1EHMT2EHMT1CYP3A4
SCHEMBL22136142 0.79 STING1 (0.58) STING1TBK1EHMT2EHMT1ITK
SCHEMBL22136131 0.78 STING1 (0.54) STING1TBK1EHMT2EHMT1ITK
SCHEMBL22136139 0.78 STING1 (0.53) STING1TBK1EHMT2EHMT1ITK
SCHEMBL22135933 0.78 BACE1 (0.48) STING1TBK1EHMT2EHMT1
SCHEMBL22118179 0.76 STING1 (0.69) STING1
SCHEMBL22135941 0.75 MAP3K7 (0.53) STING1TBK1CYP2C19
SCHEMBL22136283 0.73 KDM4E (0.59) CYP2C19

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