SCHEMBL30885449

SCHEMBL30885449

O=C(Nc1cncc(SC(F)(F)F)c1)Nc1c[nH]c2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 12/20 0.47
▸ TRPV1 Q8NER1 5/20 0.44
▸ CLK1 P49759 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL30885400 0.89 STING1 (0.47) STING1TRPV1MAPT
SCHEMBL30885386 0.86 STING1 (0.58) STING1TRPV1KDM4EALDH1A1MAPT
SCHEMBL30885447 0.82 STING1 (0.51) STING1TRPV1CLK1DYRK1AHTT
SCHEMBL30885458 0.82 STING1 (0.53) STING1HTTKDM4EMAPT
SCHEMBL30885399 0.81 STING1 (0.52) STING1KDM4EALDH1A1MAPT
SCHEMBL30885437 0.78 STING1 (0.58) STING1HTTALDH1A1
SCHEMBL30885395 0.77 STING1 (0.44) STING1KDM4E
SCHEMBL30386673 0.76 STING1 (0.72) STING1TRPV1HTTMAPT
SCHEMBL28991332 0.76 STING1 (0.72) STING1TRPV1HTTMAPT
SCHEMBL30885376 0.76 STING1 (0.46) STING1TRPV1DYRK1A

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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