SCHEMBL23201034

SCHEMBL23201034

CCCCOC(=O)NCC=CCn1c(N)nc2cc(C(N)=O)cc(C)c21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 18/20 0.44
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 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
SCHEMBL23201032 1.00 STING1 (0.44) STING1NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL21643845 0.84 STING1 (0.42) STING1CYP3A4
SCHEMBL21643841 0.84 STING1 (0.42) STING1CYP3A4
SCHEMBL21643887 0.84 STING1 (0.54) STING1CYP3A4
SCHEMBL19437550 0.76 TLR8 (0.52) STING1NPC1
SCHEMBL22121411 0.74 KMT2A (0.52) —
SCHEMBL23077417 0.74 STING1 (0.53) STING1
SCHEMBL23077419 0.74 STING1 (0.53) STING1
SCHEMBL22121231 0.74 STING1 (0.54) STING1CYP3A4
SCHEMBL22121522 0.73 STING1 (0.65) STING1CYP3A4

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
EP-3802534-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS STING ACTIVATORS Incyte Corporation (US) 2021-04-14 — — EP disclosed
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