SCHEMBL6918957

SCHEMBL6918957

O=C(O)c1ccc2c(c1)OC=CN2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 3/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 2/20 0.37
CA6 P23280 2/20 0.37
CA14 Q9ULX7 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PTGS2 P35354 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.37
MASP2 O00187 1/20 0.37
HSPA1A P0DMV8 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
SCHEMBL6207088 0.86 ALOX5 (0.47) ALDH1A1MAPK1ALOX5KDM4EMAPT
SCHEMBL19859433 0.85 TSHR (0.45) ALDH1A1KDM4ETSHRSIRT2HSD17B10
SCHEMBL18522671 0.74 TSHR (0.46) ALDH1A1MAPK1ALOX5KDM4EMAPT
SCHEMBL9309297 0.74 ALDH1A1 (0.57) ALDH1A1MAPK1ALOX5KDM4EMAPT
SCHEMBL18128163 0.72 TSHR (0.46) ALDH1A1ALOX5KDM4ETSHRHSD17B10
SCHEMBL3275976 0.71 ALDH1A1 (0.36) ALDH1A1KDM4ECA12CA2CA7
SCHEMBL28406723 0.71 ALOX5 (0.67) ALDH1A1MAPK1ALOX5KDM4EMAPT
SCHEMBL3914969 0.67 KDM4E (0.42) ALDH1A1ALOX5KDM4EMAPTCA12
SCHEMBL8751791 0.67 SNCA (0.41) ALDH1A1MAPK1KDM4EMAPTCA12
SCHEMBL3732847 0.67 ALDH1A1 (0.53) ALDH1A1MAPK1ALOX5KDM4EMAPT

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-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-0651753-A1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-05-10 EP 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