SCHEMBL6918958

SCHEMBL6918958

O=C(O)c1ccc2c(c1)OCC=N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.50
SRD5A2 P31213 1/20 0.41
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
KDM6B O15054 1/20 0.37
TET3 O43151 1/20 0.37
KDM4A O75164 1/20 0.37
BBOX1 O75936 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5C P41229 1/20 0.37
ASPH Q12797 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
TET2 Q6N021 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
KDM7A Q6ZMT4 1/20 0.37
KDM8 Q8N371 1/20 0.37
TET1 Q8NFU7 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
FTO Q9C0B1 1/20 0.37

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
SCHEMBL8369280 0.87 ALDH1A1 (0.50) ALDH1A1MAPK1SRD5A2KDM4EMAPT
SCHEMBL29950379 0.85 TSHR (0.51) ALDH1A1MAPK1MAPTTSHRNPC1
Hydrochloric Acid SCHEMBL28791571 0.85 ALDH1A1 (0.49) ALDH1A1MAPK1SRD5A2KDM4EMAPT
SCHEMBL3275980 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTTDP1CA12
SCHEMBL4433792 0.73 TSHR (0.53) ALDH1A1MAPK1TSHRNPC1RAB9A
SCHEMBL18918201 0.72 BLM (0.40) MAPTTDP1TSHRTP53
SCHEMBL657497 0.72 MAPT (0.39) ALDH1A1MAPK1KDM4EMAPTTDP1
SCHEMBL5765607 0.71 ALDH1A1 (0.51) ALDH1A1MAPK1SRD5A2KDM4EMAPT
Hydrochloric Acid SCHEMBL29118231 0.71 TSHR (0.50) ALDH1A1MAPK1TSHRNPC1RAB9A
SCHEMBL3199131 0.70 ALDH1A1 (0.47) ALDH1A1MAPK1SRD5A2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873896-A1 TRICYCLIC COMPOUNDS AS STING AGONISTS, AND PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-09-08 EP disclosed
WO-2020124059-A1 TRICYCLIC COMPOUNDS AS STING AGONISTS, AND PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2020-06-18 WO disclosed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
EP-0197807-A1 Pyrazolobenzoxazine derivatives, their salts, process and preparation intermediates, use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1986-10-15 EP disclosed