SCHEMBL7013852

SCHEMBL7013852

C/C(I)=C/COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
TK1 P04183 7/20 0.38
TK2 O00142 4/20 0.38
DUT P33316 1/20 0.38
KCNN4 O15554 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CTSK P43235 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL7013854 1.00 KIF11 (0.43) KIF11TK1TK2DUTKCNN4
SCHEMBL24933772 0.81 KIF11 (0.42) KIF11TK1TK2DUTALDH1A1
SCHEMBL30974560 0.74 KIF11 (0.42) KIF11TK1TK2DUTALDH1A1
SCHEMBL28250787 0.72 KIF11 (0.47) KIF11TK1TK2DUTALDH1A1
SCHEMBL12268294 0.72 DUT (0.50) KIF11TK1TK2DUTALDH1A1
SCHEMBL913276 0.72 DUT (0.50) KIF11TK1TK2DUTALDH1A1
SCHEMBL913275 0.72 DUT (0.50) KIF11TK1TK2DUTALDH1A1
SCHEMBL4738897 0.71 KIF11 (0.43) KIF11TK1TK2DUTKCNN4
SCHEMBL11303069 0.71 KIF11 (0.50) KIF11TK1TK2DUTKCNN4
SCHEMBL2856185 0.71 KIF11 (0.50) KIF11TK1TK2DUTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
EP-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6127389-A TREATMENT OF HYPERTENSION, RENAL DISEASES, HEART FAILURE, HYPERTENSION, MENIERE'S DISEASE, PERIPHERAL AND CEREBRAL CIRCULATORY DISORDERS, CLIMACTERIC DISTURBANCE, RETINOCHOROIDAL CIRCULATORY DISORDERS, MYOCARDIAL ISCHEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-03 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6015818-A TREATING KIDNEY, BRAIN, AND CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-18 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0879233-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-25 EP disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed