SCHEMBL6669977

SCHEMBL6669977

COCCOc1ccc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.37
▸ CA2 P00918 1/20 0.32
▸ MPO P05164 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ POLB P06746 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PRKAB2 O43741 1/20 0.30
▸ PRKAG1 P54619 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ PRKAA1 Q13131 1/20 0.30
▸ PRKAG3 Q9UGI9 1/20 0.30
▸ PRKAG2 Q9UGJ0 1/20 0.30
▸ PRKAB1 Q9Y478 1/20 0.30

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
SCHEMBL4276048 0.81 — —
SCHEMBL28120050 0.81 — —
SCHEMBL4276902 0.79 GAA (0.47) TSHRCA2GAAL3MBTL1
SCHEMBL897659 0.78 LTA4H (0.43) TSHRGAA
SCHEMBL10364117 0.77 — —
SCHEMBL30877461 0.77 — —
SCHEMBL6671708 0.76 HTR7 (0.44) TSHR
SCHEMBL29199874 0.76 CHRNB2 (0.43) —
SCHEMBL387690 0.76 — —
SCHEMBL6671624 0.75 LSS (0.46) —

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
EP-1453831-A1 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES Neurogen Corporation (US) 2004-09-08 — — EP claimed
WO-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 — — WO claimed
EP-4085061-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 — — EP disclosed
CN-115279770-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2022-11-01 — — CN disclosed
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 — — WO disclosed
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