SCHEMBL9709514

SCHEMBL9709514

CCOC(=O)Cc1cccc(-c2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
MMP2 P08253 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
PAX8 Q06710 1/20 0.51
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
KMO O15229 1/20 0.48
PSMB5 P28074 1/20 0.47
PPID Q08752 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL29001632 0.86 MKNK1 (0.54) MMP2MMP13MMP14MKNK1MKNK2
SCHEMBL3933089 0.86 ALDH1A1 (0.60) EPHX2PRMT6MKNK1MKNK2KMO
SCHEMBL30225124 0.84 NAPRT (0.59) POLBKMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL701469 0.84 NAPRT (0.59) POLBKMT2ACYP1A2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL30543987 0.83 NAPRT (0.57) POLBKMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL4556815 0.83 SMN1; SMN2 (0.56) L3MBTL1LMNAPPIDKMT2ANPC1
SCHEMBL31225595 0.80 L3MBTL1 (0.48) L3MBTL1CYP3A4NPC1PKMNFKB1
SCHEMBL3941960 0.80 NAPRT (0.67) EPHX2PRMT6MKNK1MKNK2KMO
SCHEMBL5062207 0.79 SMN1; SMN2 (0.51) L3MBTL1LMNAPPIDMEN1KMT2A
SCHEMBL13061777 0.79 BCL2 (0.54) L3MBTL1NPC1PKMNFKB1RAB9A

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
CN-1308627-A 11-Aryl-benzo[b]naphtho[2,3-d]furans and 11-aryl-aryl-benzo[b]anphtho[2,3-d]thiophenes useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PROD (US) 2001-08-15 CN disclosed
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed