SCHEMBL30387083

SCHEMBL30387083

O=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)Nc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 6/20 0.56
▸ GRIK1 P39086 1/20 0.48
▸ SNCA P37840 2/20 0.47
▸ NHERF1 O14745 1/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ P2RY1 P47900 1/20 0.43
▸ MAOB P27338 2/20 0.43
▸ GOT1 P17174 1/20 0.42
▸ PPIA P62937 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SAE1 Q9UBE0 1/20 0.41
▸ UBA2 Q9UBT2 1/20 0.41
▸ TRPV1 Q8NER1 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
SCHEMBL28991333 1.00 STING1 (0.56) STING1GRIK1SNCANHERF1CNR1
SCHEMBL30885411 0.88 STING1 (0.70) STING1GRIK1SNCANHERF1GOT1
SCHEMBL30387362 0.82 STING1 (0.62) STING1GRIK1SNCANHERF1GOT1
SCHEMBL28991278 0.82 STING1 (0.62) STING1GRIK1SNCANHERF1GOT1
SCHEMBL28991251 0.82 STING1 (0.64) STING1SNCANHERF1CNR1P2RY1
SCHEMBL30387260 0.82 STING1 (0.64) STING1SNCANHERF1CNR1P2RY1
SCHEMBL30885398 0.81 STING1 (0.72) STING1P2RY1GOT1TRPV1
SCHEMBL23207649 0.80 STING1 (0.65) STING1GRIK1CNR1GOT1MAPT
SCHEMBL30387020 0.80 STING1 (0.61) STING1GRIK1NHERF1GOT1TRPV1
SCHEMBL28991890 0.80 STING1 (0.61) STING1GRIK1NHERF1GOT1TRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023321-B STING inhibitor prodrug and medical application thereof 中国药科大学 2024-11-29 — — CN disclosed
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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