SCHEMBL30885398

SCHEMBL30885398

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 10/20 0.72
▸ EPHX2 P34913 2/20 0.56
▸ TRPV1 Q8NER1 1/20 0.54
▸ IGF1R P08069 2/20 0.53
▸ GOT1 P17174 1/20 0.51
▸ P2RY1 P47900 2/20 0.48
▸ IDH1 O75874 1/20 0.48
▸ FAAH O00519 1/20 0.46
▸ NR4A2 P43354 1/20 0.45

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 0.94 STING1 (0.64) STING1EPHX2TRPV1IGF1RGOT1
SCHEMBL30387344 0.94 STING1 (0.64) STING1EPHX2TRPV1IGF1RGOT1
SCHEMBL28991251 0.94 STING1 (0.64) STING1EPHX2TRPV1IGF1RGOT1
SCHEMBL28991900 0.94 STING1 (0.64) STING1EPHX2TRPV1IGF1RGOT1
SCHEMBL28991890 0.92 STING1 (0.61) STING1EPHX2TRPV1IGF1RGOT1
SCHEMBL30387020 0.92 STING1 (0.61) STING1EPHX2TRPV1IGF1RGOT1
SCHEMBL28991260 0.86 STING1 (0.53) STING1EPHX2TRPV1IGF1RP2RY1
SCHEMBL30386562 0.86 STING1 (0.53) STING1EPHX2TRPV1IGF1RP2RY1
SCHEMBL30885411 0.85 STING1 (0.70) STING1EPHX2GOT1
SCHEMBL30387235 0.84 STING1 (0.72) 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-117756698-A Urea compound and medical application thereof as STING inhibitor 中国药科大学 2024-03-26 — — CN disclosed
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