SCHEMBL29784174

SCHEMBL29784174

Cn1c(CNC(=O)c2cnn3cccnc23)nc2c(C(=O)O)cccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 9/20 1.00
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PDE2A O00408 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CBLB Q13191 1/20 0.44

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
SCHEMBL27185357 1.00 STING1 (1.00) STING1KDM4EHSD17B10HPGDMAPT
SCHEMBL29784554 0.95 STING1 (0.90) STING1KDM4EHSD17B10HPGDMAPT
SCHEMBL27185519 0.91 STING1 (0.83) STING1KDM4EHSD17B10HPGDMAPT
SCHEMBL29784332 0.91 STING1 (0.83) STING1KDM4EHSD17B10HPGDMAPT
SCHEMBL30829680 0.74 STING1 (1.00) STING1KDM4EHSD17B10HPGDMAPT
SCHEMBL27185485 0.74 STING1 (1.00) STING1KDM4EHSD17B10HPGDMAPT
SCHEMBL28287812 0.73 KDM4E (0.62) STING1KDM4EHSD17B10HPGDMAPT
SCHEMBL21567969 0.72 HSD17B10 (0.71) STING1KDM4EHSD17B10HPGDMAPT
SCHEMBL309036 0.71 IRAK4 (0.58) STING1KDM4EHSD17B10HPGDMAPT
SCHEMBL31294187 0.71 KDM4E (0.59) STING1KDM4EHSD17B10HPGDMAPT

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
WO-2022169921-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-11 WO claimed
WO-2022169921-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-11 WO disclosed