SCHEMBL22136153

SCHEMBL22136153

Cc1nc(C)c(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCNC(=O)OCc2ccccc2)o1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 18/20 0.57
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
EHMT2 Q96KQ7 2/20 0.51
EHMT1 Q9H9B1 1/20 0.51

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
SCHEMBL22136265 0.92 STING1 (0.55) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22135935 0.91 STING1 (0.51) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22135934 0.87 STING1 (0.53) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22136006 0.86 STING1 (0.76) STING1
SCHEMBL22119610 0.83 STING1 (0.79) STING1
SCHEMBL22151647 0.82 STING1 (0.62) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22119105 0.81 STING1 (0.53) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22136287 0.81 STING1 (0.65) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22136264 0.80 STING1 (0.60) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22135909 0.74 STING1 (0.61) STING1CYP3A4CYP2D6CYP2C9CYP2C19

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