SCHEMBL28415044

SCHEMBL28415044

CN1Cc2ccc(C(=O)O)cc2N(Cc2cc(F)cc(F)c2)S1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
PTGER2 P43116 2/20 0.39
HTR7 P34969 3/20 0.36
LMNA P02545 1/20 0.36
P2RY14 Q15391 1/20 0.35
POLB P06746 1/20 0.35
MYC P01106 3/20 0.34
STING1 Q86WV6 1/20 0.33
ENPP2 Q13822 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
NTRK1 P04629 1/20 0.32

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
SCHEMBL24295626 0.88 ALDH1A1 (0.40) HTR7LMNAPOLB
SCHEMBL21932498 0.79 HDAC6 (0.41) PTGER4PTGER2HTR7LMNAP2RY14
SCHEMBL31065615 0.79 HDAC6 (0.41) PTGER4PTGER2HTR7LMNAP2RY14
SCHEMBL21932264 0.76 PTGER4 (0.38) PTGER4PTGER2HTR7LMNAP2RY14
SCHEMBL24296018 0.75 PTGER4 (0.37) PTGER4PTGER2HTR7LMNAP2RY14
SCHEMBL29428133 0.69 HDAC6 (0.40) HTR7STING1
SCHEMBL21932239 0.68 HDAC6 (0.41) HTR7LMNAPOLBSTING1
SCHEMBL31065604 0.68 HDAC6 (0.41) HTR7LMNAPOLBSTING1
SCHEMBL22043971 0.67 STING1 (0.53) HTR7LMNAPOLBSTING1
SCHEMBL29256235 0.67 MAPT (0.43) PTGER4PTGER2HTR7LMNAPOLB

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
CN-111132972-A Small molecule modulators of human STING 克拉德夫制药有限公司 2020-05-08 CN disclosed