SCHEMBL28991251

SCHEMBL28991251

O=C(Nc1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1)Nc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 6/20 0.64
▸ TRPV1 Q8NER1 1/20 0.52
▸ EPHX2 P34913 2/20 0.49
▸ GOT1 P17174 1/20 0.48
▸ IGF1R P08069 2/20 0.48
▸ NHERF1 O14745 1/20 0.47
▸ SNCA P37840 3/20 0.44
▸ P2RY1 P47900 1/20 0.44
▸ IDH1 O75874 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ FAAH O00519 1/20 0.42
▸ MAPK8 P45983 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
SCHEMBL30387260 1.00 STING1 (0.64) STING1TRPV1EPHX2GOT1IGF1R
SCHEMBL30885398 0.94 STING1 (0.72) STING1TRPV1EPHX2GOT1IGF1R
SCHEMBL28991900 0.88 STING1 (0.64) STING1TRPV1EPHX2GOT1IGF1R
SCHEMBL30387344 0.88 STING1 (0.64) STING1TRPV1EPHX2GOT1IGF1R
SCHEMBL30387020 0.87 STING1 (0.61) STING1TRPV1EPHX2GOT1IGF1R
SCHEMBL28991890 0.87 STING1 (0.61) STING1TRPV1EPHX2GOT1IGF1R
SCHEMBL30885459 0.84 STING1 (0.51) STING1NHERF1SNCA
SCHEMBL28991333 0.82 STING1 (0.56) STING1TRPV1GOT1NHERF1SNCA
SCHEMBL30387083 0.82 STING1 (0.56) STING1TRPV1GOT1NHERF1SNCA
SCHEMBL30386562 0.81 STING1 (0.53) STING1TRPV1EPHX2IGF1RP2RY1

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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