SCHEMBL6796015

SCHEMBL6796015

CC(=O)C=Cc1cc(F)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
IAPP P10997 2/20 0.43
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 2/20 0.41
PTGS1 P23219 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDO2 P48775 1/20 0.41
AR P10275 2/20 0.40
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.38
CYP1A1 P04798 1/20 0.38

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
SCHEMBL6796011 1.00 KDM4E (0.46) KDM4EMAPTLMNAIAPPKMT2A
SCHEMBL7805095 0.85 TDO2 (0.55) KDM4EALDH1A1TDO2ARSMN1; SMN2
SCHEMBL7805088 0.85 TDO2 (0.55) KDM4EALDH1A1TDO2ARSMN1; SMN2
SCHEMBL20651126 0.84 PTGS1 (0.38) KDM4EMAPTLMNAKMT2ATDP1
SCHEMBL6793789 0.83 NFE2L2 (0.53) KDM4EMAPTLMNAIAPPKMT2A
SCHEMBL6793792 0.83 NFE2L2 (0.53) KDM4EMAPTLMNAIAPPKMT2A
SCHEMBL15826781 0.83 MAPT (0.54) KDM4EMAPTLMNAIAPPKMT2A
SCHEMBL30022725 0.83 NFE2L2 (0.53) KDM4EMAPTLMNAIAPPKMT2A
SCHEMBL20152901 0.81 MAPT (0.50) KDM4EMAPTLMNAIAPPKMT2A
SCHEMBL1404883 0.81 MAPT (0.59) KDM4EMAPTLMNAIAPPKMT2A

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 6 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-1229019-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
EP-1182194-A1 PERNASAL PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed
EP-0950418-A2 Composition for preventing or treating ischemic disease Takeda Chemical Industries, Ltd. (JP) 1999-10-20 EP disclosed