SCHEMBL28991900

SCHEMBL28991900

O=C(Nc1ccc(Sc2ccc(OC(F)(F)F)cc2)cc1)Nc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 7/20 0.64
▸ TRPV1 Q8NER1 1/20 0.49
▸ EPHX2 P34913 2/20 0.49
▸ IGF1R P08069 2/20 0.48
▸ GOT1 P17174 1/20 0.46
▸ P2RY1 P47900 2/20 0.44
▸ IDH1 O75874 1/20 0.44
▸ RHEB Q15382 1/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ CHRNA7 P36544 2/20 0.42
▸ FAAH O00519 1/20 0.42

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
SCHEMBL30387344 1.00 STING1 (0.64) STING1TRPV1EPHX2IGF1RGOT1
SCHEMBL30885398 0.94 STING1 (0.72) STING1TRPV1EPHX2IGF1RGOT1
SCHEMBL28991251 0.88 STING1 (0.64) STING1TRPV1EPHX2IGF1RGOT1
SCHEMBL30387260 0.88 STING1 (0.64) STING1TRPV1EPHX2IGF1RGOT1
SCHEMBL28991278 0.87 STING1 (0.62) STING1EPHX2GOT1
SCHEMBL30387362 0.87 STING1 (0.62) STING1EPHX2GOT1
SCHEMBL28991890 0.87 STING1 (0.61) STING1TRPV1EPHX2IGF1RGOT1
SCHEMBL30387020 0.87 STING1 (0.61) STING1TRPV1EPHX2IGF1RGOT1
SCHEMBL30885397 0.84 STING1 (0.51) STING1
SCHEMBL28991301 0.83 STING1 (0.57) STING1

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-116023321-A STING inhibitor prodrug and medical application thereof 中国药科大学 2023-04-28 — — CN disclosed
Send feedback