SCHEMBL6793789

SCHEMBL6793789

CC(=O)/C=C/c1cc(F)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.53
KDM4E B2RXH2 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.45
IAPP P10997 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
PTGS1 P23219 1/20 0.42
TDO2 P48775 1/20 0.41
S1PR1 P21453 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL30022725 1.00 NFE2L2 (0.53) NFE2L2KDM4EMAPTLMNARAB9A
SCHEMBL6793792 1.00 NFE2L2 (0.53) NFE2L2KDM4EMAPTLMNARAB9A
SCHEMBL1345149 0.87 CYP1A1 (0.55) NFE2L2KDM4EMAPTLMNARAB9A
SCHEMBL1345148 0.87 CYP1A1 (0.55) NFE2L2KDM4EMAPTLMNARAB9A
SCHEMBL7683621 0.85 MAPT (0.44) NFE2L2KDM4EMAPTLMNARAB9A
SCHEMBL7686797 0.85 MAPT (0.44) NFE2L2KDM4EMAPTLMNAIAPP
SCHEMBL7686801 0.85 MAPT (0.44) NFE2L2KDM4EMAPTLMNAIAPP
SCHEMBL7683617 0.85 MAPT (0.44) NFE2L2KDM4EMAPTLMNARAB9A
SCHEMBL1404883 0.83 MAPT (0.59) KDM4EMAPTLMNAIAPPKMT2A
SCHEMBL6796011 0.83 KDM4E (0.46) KDM4EMAPTLMNARAB9AIAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706732-B1 PROPHYLACTIC AND THERAPEUTIC EFFECT ON MYOCARDIAL INFARCTION AND ACCOMPANYING DYSFUNCTIONS, ARRHYTHMIA, UNSTABLE ANGINA, CARDIAC HYPERTROPHY, ETC.; SODIUM-PROTON EXCHANGE INHIBITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
EP-1182194-A1 PERNASAL PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed