SCHEMBL29976147

SCHEMBL29976147

COc1cc(C=O)c(Br)nc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.55
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ERN1 O75460 9/20 0.45
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 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
SCHEMBL21437043 1.00 PRKDC (0.55) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL9828231 0.83 ALDH1A1 (0.55) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL2433684 0.75 POLB (0.43) PRKDCALDH1A1ERN1MAPTL3MBTL1
SCHEMBL31554539 0.72 POLB (0.45) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL22962870 0.71 CCNA2 (0.33) PRKDCALDH1A1MAPTSMN1; SMN2
SCHEMBL5698339 0.71 ALDH1A1 (0.81) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL3136850 0.71 ALDH1A1 (0.90) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL515642 0.71 PRKDC (1.00) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL2037836 0.69 PRKDC (0.74) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL698744 0.69 PRKDC (0.81) PRKDCALDH1A1KDM4ETSHRTDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024032782-A1 VACCINE ADJUVANTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO.LTD. (CN) 2024-02-15 WO disclosed
EP-4313962-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-02-07 EP disclosed
CN-117203194-A Novel compounds useful as STING agonists and uses thereof 北京加科思新药研发有限公司 2023-12-08 CN disclosed
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 WO disclosed
WO-2022206725-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-10-06 WO disclosed