SCHEMBL28991260

SCHEMBL28991260

O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)Nc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 8/20 0.53
▸ EPHX2 P34913 2/20 0.47
▸ PNLIP P16233 1/20 0.45
▸ IGF1R P08069 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.43
▸ IDH1 O75874 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ P2RY1 P47900 1/20 0.41

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
SCHEMBL30386562 1.00 STING1 (0.53) STING1EPHX2PNLIPIGF1RTRPV1
SCHEMBL30885398 0.86 STING1 (0.72) STING1EPHX2IGF1RTRPV1IDH1
SCHEMBL28991890 0.81 STING1 (0.61) STING1EPHX2IGF1RTRPV1
SCHEMBL30387020 0.81 STING1 (0.61) STING1EPHX2IGF1RTRPV1
SCHEMBL30387260 0.81 STING1 (0.64) STING1EPHX2IGF1RTRPV1IDH1
SCHEMBL28991251 0.81 STING1 (0.64) STING1EPHX2IGF1RTRPV1IDH1
SCHEMBL28991900 0.81 STING1 (0.64) STING1EPHX2IGF1RTRPV1IDH1
SCHEMBL30387344 0.81 STING1 (0.64) STING1EPHX2IGF1RTRPV1IDH1
SCHEMBL30885411 0.80 STING1 (0.70) STING1EPHX2RAB9A
SCHEMBL30885401 0.80 STING1 (0.46) STING1EPHX2TRPV1

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
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