SCHEMBL28991278

SCHEMBL28991278

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 8/20 0.62
▸ GRIK1 P39086 1/20 0.54
▸ EPHX2 P34913 1/20 0.46
▸ KDR P35968 1/20 0.45
▸ TEK Q02763 1/20 0.45
▸ SNCA P37840 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ GOT1 P17174 1/20 0.44
▸ P2RX1 P51575 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ TMPRSS4 Q9NRS4 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ NHERF1 O14745 1/20 0.43

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
SCHEMBL30387362 1.00 STING1 (0.62) STING1GRIK1EPHX2KDRTEK
SCHEMBL30885411 0.94 STING1 (0.70) STING1GRIK1EPHX2SNCAGOT1
SCHEMBL30387344 0.87 STING1 (0.64) STING1EPHX2GOT1
SCHEMBL28991900 0.87 STING1 (0.64) STING1EPHX2GOT1
SCHEMBL28991301 0.86 STING1 (0.57) STING1GRIK1NHERF1
SCHEMBL30387111 0.86 STING1 (0.57) STING1GRIK1NHERF1
SCHEMBL23207649 0.85 STING1 (0.65) STING1GRIK1EPHX2GOT1
SCHEMBL22803837 0.84 STING1 (0.77) STING1GRIK1EPHX2GOT1MTOR
SCHEMBL30387083 0.82 STING1 (0.56) STING1GRIK1SNCAGOT1NHERF1
SCHEMBL28991333 0.82 STING1 (0.56) STING1GRIK1SNCAGOT1NHERF1

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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