SCHEMBL29784456

SCHEMBL29784456

O=C(O)c1ccc(F)c2cc(CNC(=O)c3cnn4cccnc34)oc12

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 13/20 0.75
KDM4E B2RXH2 3/20 0.59
MAPT P10636 1/20 0.59
HSD17B10 Q99714 3/20 0.54
HPGD P15428 2/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NLRP3 Q96P20 1/20 0.46

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
SCHEMBL27185840 1.00 STING1 (0.75) STING1KDM4EMAPTHSD17B10HPGD
SCHEMBL27185484 0.91 STING1 (0.77) STING1KDM4EMAPTHSD17B10HPGD
SCHEMBL29784561 0.91 STING1 (0.77) STING1KDM4EMAPTHSD17B10HPGD
SCHEMBL27185881 0.90 STING1 (0.75) STING1KDM4EMAPTHSD17B10HPGD
SCHEMBL29784431 0.90 STING1 (0.75) STING1KDM4EMAPTHSD17B10HPGD
SCHEMBL29784383 0.90 STING1 (0.68) STING1KDM4EMAPTHSD17B10HPGD
SCHEMBL27185831 0.90 STING1 (0.73) STING1KDM4EMAPTHSD17B10HPGD
SCHEMBL29784464 0.90 STING1 (0.73) STING1KDM4EMAPTHSD17B10HPGD
SCHEMBL27185868 0.90 STING1 (0.68) STING1KDM4EMAPTHSD17B10HPGD
SCHEMBL29784312 0.89 STING1 (0.69) STING1KDM4EMAPTHSD17B10HPGD

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